COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.516   1.259  -2.186  1.00  0.00           C  
HETATM    2  N   UNL     1       8.014   0.931  -0.849  1.00  0.00           N  
HETATM    3  N   UNL     1       8.770   0.893   0.329  1.00  0.00           N  
HETATM    4  C   UNL     1       7.975   0.562   1.314  1.00  0.00           C  
HETATM    5  C   UNL     1       6.689   0.379   0.796  1.00  0.00           C  
HETATM    6  C   UNL     1       6.739   0.617  -0.535  1.00  0.00           C  
HETATM    7  C   UNL     1       5.581   0.536  -1.497  1.00  0.00           C  
HETATM    8  O   UNL     1       4.398   0.164  -0.787  1.00  0.00           O  
HETATM    9  C   UNL     1       3.255   0.046  -1.513  1.00  0.00           C  
HETATM   10  C   UNL     1       2.070  -0.313  -0.888  1.00  0.00           C  
HETATM   11  C   UNL     1       2.048  -0.571   0.597  1.00  0.00           C  
HETATM   12  C   UNL     1       1.869   0.753   1.342  1.00  0.00           C  
HETATM   13  O   UNL     1       0.586   1.303   1.035  1.00  0.00           O  
HETATM   14  C   UNL     1       0.476   2.653   1.055  1.00  0.00           C  
HETATM   15  N   UNL     1       1.522   3.408   1.347  1.00  0.00           N  
HETATM   16  C   UNL     1       1.429   4.726   1.369  1.00  0.00           C  
HETATM   17  N   UNL     1       0.305   5.351   1.105  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.808   4.673   0.798  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.760   3.277   0.756  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.046   2.690   0.409  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.030   3.606   0.197  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.425   5.238   0.407  1.00  0.00           S  
HETATM   23  C   UNL     1      -4.412   3.272  -0.165  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.421   4.164  -0.384  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.566   3.410  -0.702  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.208   2.108  -0.663  1.00  0.00           C  
HETATM   27  F   UNL     1      -7.023   1.059  -0.910  1.00  0.00           F  
HETATM   28  O   UNL     1      -4.905   2.029  -0.344  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.263   1.232   0.297  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.066   0.587  -0.925  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.631   1.376  -2.133  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.270  -0.774  -1.026  1.00  0.00           C  
HETATM   33 CL   UNL     1      -2.025  -1.578  -2.545  1.00  0.00          Cl  
HETATM   34  C   UNL     1      -2.671  -1.502   0.087  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.872  -2.843  -0.015  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.283  -3.530   1.168  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.457  -5.018   0.860  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.155  -5.600   0.506  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.313  -6.961  -0.024  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.947  -7.500  -0.454  1.00  0.00           C  
HETATM   41  N   UNL     1      -0.034  -7.489   0.698  1.00  0.00           N  
HETATM   42  C   UNL     1       1.267  -8.071   0.344  1.00  0.00           C  
HETATM   43  C   UNL     1       0.124  -6.128   1.228  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.243  -5.589   1.658  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.868  -0.864   1.304  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.661   0.495   1.414  1.00  0.00           C  
HETATM   47  C   UNL     1       1.970   0.511   2.826  1.00  0.00           C  
HETATM   48  O   UNL     1       3.127   0.090   3.361  1.00  0.00           O  
HETATM   49  O   UNL     1       1.009   0.697   3.535  1.00  0.00           O  
HETATM   50  C   UNL     1       0.909  -0.432  -1.628  1.00  0.00           C  
HETATM   51  C   UNL     1       0.928  -0.195  -2.989  1.00  0.00           C  
HETATM   52  C   UNL     1       2.109   0.162  -3.615  1.00  0.00           C  
HETATM   53  C   UNL     1       3.271   0.289  -2.878  1.00  0.00           C  
HETATM   54  H   UNL     1       8.849   0.347  -2.683  1.00  0.00           H  
HETATM   55  H   UNL     1       7.720   1.721  -2.770  1.00  0.00           H  
HETATM   56  H   UNL     1       9.353   1.952  -2.099  1.00  0.00           H  
HETATM   57  H   UNL     1       8.262   0.450   2.349  1.00  0.00           H  
HETATM   58  H   UNL     1       5.810   0.101   1.359  1.00  0.00           H  
HETATM   59  H   UNL     1       5.432   1.508  -1.968  1.00  0.00           H  
HETATM   60  H   UNL     1       5.796  -0.209  -2.262  1.00  0.00           H  
HETATM   61  H   UNL     1       1.220  -1.238   0.837  1.00  0.00           H  
HETATM   62  H   UNL     1       2.987  -1.034   0.899  1.00  0.00           H  
HETATM   63  H   UNL     1       2.647   1.451   1.034  1.00  0.00           H  
HETATM   64  H   UNL     1       2.306   5.307   1.612  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.353   5.240  -0.324  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.547   3.799  -0.934  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.542   1.400  -2.178  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.021   0.905  -3.035  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.014   2.394  -2.060  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.526  -3.405   1.943  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.231  -3.118   1.516  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.856  -5.527   1.737  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.148  -5.138   0.025  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.732  -7.606   0.749  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.984  -6.941  -0.883  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.058  -8.521  -0.821  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.541  -6.872  -1.246  1.00  0.00           H  
HETATM   78  H   UNL     1       1.716  -7.492  -0.463  1.00  0.00           H  
HETATM   79  H   UNL     1       1.923  -8.050   1.214  1.00  0.00           H  
HETATM   80  H   UNL     1       1.128  -9.102   0.018  1.00  0.00           H  
HETATM   81  H   UNL     1       0.794  -6.148   2.087  1.00  0.00           H  
HETATM   82  H   UNL     1       0.542  -5.483   0.455  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.132  -4.568   2.024  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.649  -6.218   2.450  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.179  -1.433   2.168  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.810   0.990   2.363  1.00  0.00           H  
HETATM   87  H   UNL     1       3.143  -0.051   4.317  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.014  -0.711  -1.142  1.00  0.00           H  
HETATM   89  H   UNL     1       0.020  -0.289  -3.566  1.00  0.00           H  
HETATM   90  H   UNL     1       2.120   0.352  -4.678  1.00  0.00           H  
HETATM   91  H   UNL     1       4.192   0.568  -3.367  1.00  0.00           H  
CONECT    1    2   54   55   56                                       
CONECT    2    6    3    1                                            
CONECT    3    4    4    2                                            
CONECT    4    5    3    3   57                                       
CONECT    5    4    6    6   58                                       
CONECT    6    5    5    7    2                                       
CONECT    7    6    8   59   60                                       
CONECT    8    7    9                                                 
CONECT    9   53    8   10   10                                       
CONECT   10    9    9   50   11                                       
CONECT   11   12   10   61   62                                       
CONECT   12   13   47   11   63                                       
CONECT   13   14   12                                                 
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   64                                       
CONECT   17   18   18   16                                            
CONECT   18   22   17   17   19                                       
CONECT   19   18   20   14   14                                       
CONECT   20   21   21   19   29                                       
CONECT   21   22   23   20   20                                       
CONECT   22   18   21                                                 
CONECT   23   28   21   24   24                                       
CONECT   24   23   23   25   65                                       
CONECT   25   26   26   24   66                                       
CONECT   26   27   28   25   25                                       
CONECT   27   26                                                      
CONECT   28   26   23                                                 
CONECT   29   20   30   30   46                                       
CONECT   30   31   29   29   32                                       
CONECT   31   30   67   68   69                                       
CONECT   32   30   33   34   34                                       
CONECT   33   32                                                      
CONECT   34   32   32   45   35                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   70   71                                       
CONECT   37   36   38   72   73                                       
CONECT   38   44   37   39                                            
CONECT   39   38   40   74   75                                       
CONECT   40   41   39   76   77                                       
CONECT   41   43   42   40                                            
CONECT   42   41   78   79   80                                       
CONECT   43   44   41   81   82                                       
CONECT   44   43   38   83   84                                       
CONECT   45   46   46   34   85                                       
CONECT   46   29   45   45   86                                       
CONECT   47   12   49   49   48                                       
CONECT   48   47   87                                                 
CONECT   49   47   47                                                 
CONECT   50   51   51   10   88                                       
CONECT   51   52   50   50   89                                       
CONECT   52   53   53   51   90                                       
CONECT   53   52   52    9   91                                       
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   16                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   48                                                      
CONECT   88   50                                                      
CONECT   89   51                                                      
CONECT   90   52                                                      
CONECT   91   53                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
