COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.585   0.467   0.306  1.00  0.00           C  
HETATM    2  C   UNL     1       5.090  -0.689   0.922  1.00  0.00           C  
HETATM    3  C   UNL     1       3.401   0.563  -0.469  1.00  0.00           C  
HETATM    4  C   UNL     1       2.238   1.088  -1.197  1.00  0.00           C  
HETATM    5  C   UNL     1       7.744   0.038   1.285  1.00  0.00           C  
HETATM    6  C   UNL     1       6.943   0.814   0.509  1.00  0.00           C  
HETATM    7  C   UNL     1       0.026  -1.063  -3.317  1.00  0.00           C  
HETATM    8  O   UNL     1       2.341   2.107  -1.854  1.00  0.00           O  
HETATM    9  C   UNL     1       4.611   1.131  -0.457  1.00  0.00           C  
HETATM   10  S   UNL     1       3.390  -0.891   0.514  1.00  0.00           S  
HETATM   11  C   UNL     1       5.935  -1.472   1.716  1.00  0.00           C  
HETATM   12  C   UNL     1       7.248  -1.109   1.893  1.00  0.00           C  
HETATM   13  C   UNL     1       9.187   0.424   1.487  1.00  0.00           C  
HETATM   14  F   UNL     1       9.586   0.076   2.782  1.00  0.00           F  
HETATM   15  P   UNL     1      10.227  -0.455   0.275  1.00  0.00           P  
HETATM   16  O   UNL     1       9.856   0.042  -1.211  1.00  0.00           O  
HETATM   17  O   UNL     1      11.653  -0.169   0.549  1.00  0.00           O  
HETATM   18  O   UNL     1       9.966  -2.039   0.392  1.00  0.00           O  
HETATM   19  F   UNL     1       9.329   1.804   1.309  1.00  0.00           F  
HETATM   20  N   UNL     1       1.057   0.442  -1.138  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.103   0.966  -1.864  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.068   0.465  -3.309  1.00  0.00           C  
HETATM   23  C   UNL     1       1.148   1.055  -4.025  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.345   0.900  -4.030  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.369   0.491  -1.198  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.436  -0.636  -0.755  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.427   1.320  -1.094  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.685   1.020  -0.396  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.606   2.247  -0.564  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.031   2.943  -1.825  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.512   2.680  -1.658  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.334  -0.195  -1.008  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.773  -0.799  -1.898  1.00  0.00           O  
HETATM   34  N   UNL     1      -5.537  -0.612  -0.566  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.991  -1.974  -0.853  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.657  -2.884   0.331  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.228  -4.257   0.088  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.842  -4.485  -0.933  1.00  0.00           O  
HETATM   39  N   UNL     1      -6.056  -5.230   1.004  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.314  -4.954   2.236  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.612  -6.565   0.767  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.353   0.259   0.168  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.738   0.106   0.130  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.544   0.958   0.849  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.981   1.976   1.616  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.592   2.142   1.664  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.781   1.257   0.926  1.00  0.00           C  
HETATM   48  S   UNL     1      -8.712   3.214   2.634  1.00  0.00           S  
HETATM   49  C   UNL     1      -7.172   3.833   3.030  1.00  0.00           C  
HETATM   50  N   UNL     1      -6.239   3.174   2.455  1.00  0.00           N  
HETATM   51  H   UNL     1       7.345   1.701   0.043  1.00  0.00           H  
HETATM   52  H   UNL     1       0.936  -1.373  -2.803  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.840  -1.483  -2.807  1.00  0.00           H  
HETATM   54  H   UNL     1       0.051  -1.420  -4.347  1.00  0.00           H  
HETATM   55  H   UNL     1       4.825   2.041  -0.998  1.00  0.00           H  
HETATM   56  H   UNL     1       5.553  -2.364   2.191  1.00  0.00           H  
HETATM   57  H   UNL     1       7.896  -1.716   2.508  1.00  0.00           H  
HETATM   58  H   UNL     1       8.918  -0.046  -1.433  1.00  0.00           H  
HETATM   59  H   UNL     1      10.487  -2.571  -0.225  1.00  0.00           H  
HETATM   60  H   UNL     1       0.974  -0.370  -0.614  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.074   2.055  -1.856  1.00  0.00           H  
HETATM   62  H   UNL     1       1.173   0.698  -5.054  1.00  0.00           H  
HETATM   63  H   UNL     1       1.081   2.143  -4.019  1.00  0.00           H  
HETATM   64  H   UNL     1       2.058   0.745  -3.511  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.215   0.554  -3.471  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.369   1.987  -4.103  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.363   0.468  -5.031  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.490   0.845   0.662  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.637   1.935  -0.732  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.539   2.901   0.306  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.413   2.481  -2.735  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.245   4.012  -1.813  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.072   3.403  -0.971  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.011   2.722  -2.625  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.069  -1.971  -1.015  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.490  -2.344  -1.747  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.575  -2.954   0.441  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.087  -2.467   1.242  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.004  -4.604   3.005  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.823  -5.865   2.577  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.564  -4.186   2.044  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.126  -6.579  -0.194  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.805  -7.298   0.759  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.318  -6.811   1.560  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.178  -0.682  -0.463  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.617   0.838   0.818  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.707   1.365   0.952  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.007   4.677   3.683  1.00  0.00           H  
CONECT    1    6    9    2    2                                       
CONECT    2    1    1   11   10                                       
CONECT    3    9    9    4   10                                       
CONECT    4    3   20    8    8                                       
CONECT    5   13    6    6   12                                       
CONECT    6    5    5    1   51                                       
CONECT    7   22   52   53   54                                       
CONECT    8    4    4                                                 
CONECT    9    1    3    3   55                                       
CONECT   10    3    2                                                 
CONECT   11   12   12    2   56                                       
CONECT   12    5   11   11   57                                       
CONECT   13   19   15    5   14                                       
CONECT   14   13                                                      
CONECT   15   17   17   18   13                                       
CONECT   15   16                                                      
CONECT   16   15   58                                                 
CONECT   17   15   15                                                 
CONECT   18   15   59                                                 
CONECT   19   13                                                      
CONECT   20    4   21   60                                            
CONECT   21   22   20   25   61                                       
CONECT   22    7   23   24   21                                       
CONECT   23   22   62   63   64                                       
CONECT   24   22   65   66   67                                       
CONECT   25   21   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   31   28                                            
CONECT   28   27   29   32   68                                       
CONECT   29   30   28   69   70                                       
CONECT   30   31   29   71   72                                       
CONECT   31   27   30   73   74                                       
CONECT   32   33   33   28   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   42                                            
CONECT   35   34   36   75   76                                       
CONECT   36   35   37   77   78                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   41                                            
CONECT   40   39   79   80   81                                       
CONECT   41   39   82   83   84                                       
CONECT   42   34   43   43   47                                       
CONECT   43   42   42   44   85                                       
CONECT   44   43   45   45   86                                       
CONECT   45   44   44   46   48                                       
CONECT   46   47   47   45   50                                       
CONECT   47   42   46   46   87                                       
CONECT   48   45   49                                                 
CONECT   49   48   50   50   88                                       
CONECT   50   46   49   49                                            
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   47                                                      
CONECT   88   49                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
