COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.778   0.297  -1.216  1.00  0.00           C  
HETATM    2  C   UNL     1       1.926  -1.786   1.464  1.00  0.00           C  
HETATM    3  C   UNL     1       0.894  -3.933   1.227  1.00  0.00           C  
HETATM    4  C   UNL     1       2.091  -4.460   0.780  1.00  0.00           C  
HETATM    5  C   UNL     1       3.204  -3.648   0.669  1.00  0.00           C  
HETATM    6  C   UNL     1       2.020   1.958  -0.591  1.00  0.00           C  
HETATM    7  C   UNL     1       1.393   2.708   0.556  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.394   2.978   2.141  1.00  0.00           C  
HETATM    9  C   UNL     1       2.021   3.824   1.080  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.460   1.160   0.552  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.784   0.989   0.738  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.448  -0.289   0.295  1.00  0.00           C  
HETATM   13  C   UNL     1       0.811  -2.596   1.569  1.00  0.00           C  
HETATM   14  C   UNL     1       0.241   4.088   2.664  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.382   1.810   0.420  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.387   0.912  -1.564  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.312  -2.223   1.252  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.442  -2.090  -0.975  1.00  0.00           C  
HETATM   19  C   UNL     1       1.445   4.513   2.134  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.971   2.812  -0.327  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.970   1.916  -2.313  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.905  -3.434   0.949  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.038  -3.298  -1.282  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.588   0.862  -0.198  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.583  -1.550   0.289  1.00  0.00           C  
HETATM   26  C   UNL     1       0.181   2.284   1.084  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.766   2.866  -1.695  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.768  -3.974  -0.319  1.00  0.00           C  
HETATM   29  C   UNL     1       3.122  -2.311   1.011  1.00  0.00           C  
HETATM   30  C   UNL     1       5.577  -1.422  -1.642  1.00  0.00           C  
HETATM   31  C   UNL     1       4.664   1.327  -1.925  1.00  0.00           C  
HETATM   32  C   UNL     1       6.392  -0.325  -2.335  1.00  0.00           C  
HETATM   33  C   UNL     1       7.271  -0.949  -3.420  1.00  0.00           C  
HETATM   34  C   UNL     1       3.049   0.964  -0.048  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.942  -0.227   0.619  1.00  0.00           C  
HETATM   36  N   UNL     1       4.635  -0.786  -0.709  1.00  0.00           N  
HETATM   37  N   UNL     1       5.477   0.650  -2.944  1.00  0.00           N  
HETATM   38  O   UNL     1      -2.441   1.864   1.262  1.00  0.00           O  
HETATM   39  O   UNL     1       4.266  -0.111   1.635  1.00  0.00           O  
HETATM   40  O   UNL     1       5.669  -2.109   1.099  1.00  0.00           O  
HETATM   41  F   UNL     1      -6.342   3.845  -2.427  1.00  0.00           F  
HETATM   42  F   UNL     1      -6.347  -5.158  -0.616  1.00  0.00           F  
HETATM   43  F   UNL     1       3.198   4.241   0.564  1.00  0.00           F  
HETATM   44  S   UNL     1       4.541  -1.276   0.870  1.00  0.00           S  
HETATM   45  H   UNL     1       3.051  -0.110  -1.918  1.00  0.00           H  
HETATM   46  H   UNL     1       1.861  -0.741   1.731  1.00  0.00           H  
HETATM   47  H   UNL     1       0.023  -4.567   1.309  1.00  0.00           H  
HETATM   48  H   UNL     1       2.156  -5.504   0.513  1.00  0.00           H  
HETATM   49  H   UNL     1       4.140  -4.059   0.320  1.00  0.00           H  
HETATM   50  H   UNL     1       1.247   1.419  -1.138  1.00  0.00           H  
HETATM   51  H   UNL     1       2.514   2.663  -1.260  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.334   2.648   2.556  1.00  0.00           H  
HETATM   53  H   UNL     1       0.048   0.504   0.050  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.314  -0.414  -0.780  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.997  -1.133   0.818  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.125  -2.185   1.917  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.205   4.625   3.489  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.538   1.770   1.488  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.766   0.171  -2.046  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.423  -1.800   2.240  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.872  -1.563  -1.727  1.00  0.00           H  
HETATM   62  H   UNL     1       1.937   5.384   2.542  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.592   3.553   0.156  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.806   1.961  -3.379  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.475  -3.960   1.701  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.928  -3.720  -2.270  1.00  0.00           H  
HETATM   67  H   UNL     1       5.025  -1.994  -2.388  1.00  0.00           H  
HETATM   68  H   UNL     1       6.247  -2.086  -1.095  1.00  0.00           H  
HETATM   69  H   UNL     1       4.037   2.080  -2.402  1.00  0.00           H  
HETATM   70  H   UNL     1       5.319   1.806  -1.197  1.00  0.00           H  
HETATM   71  H   UNL     1       7.023   0.178  -1.601  1.00  0.00           H  
HETATM   72  H   UNL     1       6.640  -1.451  -4.154  1.00  0.00           H  
HETATM   73  H   UNL     1       7.851  -0.168  -3.913  1.00  0.00           H  
HETATM   74  H   UNL     1       7.948  -1.674  -2.968  1.00  0.00           H  
HETATM   75  H   UNL     1       2.541   0.204   0.545  1.00  0.00           H  
HETATM   76  H   UNL     1       3.769   1.492   0.577  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.075  -0.013   1.680  1.00  0.00           H  
HETATM   78  H   UNL     1       4.893   0.211  -3.640  1.00  0.00           H  
CONECT    1   31   36   34   45                                       
CONECT    2   13   13   29   46                                       
CONECT    3    4    4   13   47                                       
CONECT    4    3    3    5   48                                       
CONECT    5    4   29   29   49                                       
CONECT    6   34    7   50   51                                       
CONECT    7    6   26   26    9                                       
CONECT    8   26   14   14   52                                       
CONECT    9    7   43   19   19                                       
CONECT   10   11   26   53                                            
CONECT   11   12   10   38   38                                       
CONECT   12   35   11   54   55                                       
CONECT   13    3    2    2   56                                       
CONECT   14    8    8   19   57                                       
CONECT   15   20   24   24   58                                       
CONECT   16   21   21   24   59                                       
CONECT   17   22   25   25   60                                       
CONECT   18   23   23   25   61                                       
CONECT   19    9    9   14   62                                       
CONECT   20   27   27   15   63                                       
CONECT   21   27   16   16   64                                       
CONECT   22   28   28   17   65                                       
CONECT   23   28   18   18   66                                       
CONECT   24   15   15   16   35                                       
CONECT   25   17   17   18   35                                       
CONECT   26   10    7    7    8                                       
CONECT   27   41   20   20   21                                       
CONECT   28   42   22   22   23                                       
CONECT   29    5    5    2   44                                       
CONECT   30   36   32   67   68                                       
CONECT   31    1   37   69   70                                       
CONECT   32   33   37   30   71                                       
CONECT   33   32   72   73   74                                       
CONECT   34    1    6   75   76                                       
CONECT   35   25   24   12   77                                       
CONECT   36   44    1   30                                            
CONECT   37   31   32   78                                            
CONECT   38   11   11                                                 
CONECT   39   44   44                                                 
CONECT   40   44   44                                                 
CONECT   41   27                                                      
CONECT   42   28                                                      
CONECT   43    9                                                      
CONECT   44   39   39   29   40                                       
CONECT   44   40   36                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   37                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
