COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.195   1.670   2.996  1.00  0.00           C  
HETATM    2  F   UNL     1       7.556   2.899   2.925  1.00  0.00           F  
HETATM    3  N   UNL     1       0.995  -3.329   0.296  1.00  0.00           N  
HETATM    4  O   UNL     1       2.990  -4.466  -0.117  1.00  0.00           O  
HETATM    5  S   UNL     1      -4.292   3.177  -1.550  1.00  0.00           S  
HETATM    6  C   UNL     1      -4.216   1.190   1.926  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.787   1.073   2.296  1.00  0.00           N  
HETATM    8  O   UNL     1       1.415  -4.274  -1.669  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.170   0.197   2.591  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.114   2.795   0.051  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.862  -1.872   1.334  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.480   1.577   0.498  1.00  0.00           C  
HETATM   13  N   UNL     1       4.872   1.923  -0.444  1.00  0.00           N  
HETATM   14  O   UNL     1      -3.788   4.502  -1.652  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.305  -0.335   1.752  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.114  -0.643   0.744  1.00  0.00           N  
HETATM   17  O   UNL     1       3.232   1.393  -1.844  1.00  0.00           O  
HETATM   18  C   UNL     1       4.072  -4.348  -2.296  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.669   2.101  -2.239  1.00  0.00           O  
HETATM   20  C   UNL     1       5.112  -5.623  -0.415  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.386   0.899   0.095  1.00  0.00           O  
HETATM   22  C   UNL     1       3.027  -6.472  -1.498  1.00  0.00           C  
HETATM   23  O   UNL     1       2.710   1.478   0.310  1.00  0.00           O  
HETATM   24  C   UNL     1       3.789  -5.217  -1.069  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.023   0.794  -0.252  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.220  -1.541   1.242  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.956   0.856   1.228  1.00  0.00           C  
HETATM   28  C   UNL     1       5.842   2.064  -1.393  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.991  -2.373   1.504  1.00  0.00           C  
HETATM   30  C   UNL     1       9.286   3.002  -0.281  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.500   0.564   1.481  1.00  0.00           C  
HETATM   32  C   UNL     1       8.337   2.684  -1.191  1.00  0.00           C  
HETATM   33  C   UNL     1       9.022   3.072   1.091  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.055  -3.672   0.701  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.694  -4.372   0.759  1.00  0.00           C  
HETATM   36  C   UNL     1       1.787  -4.032  -0.538  1.00  0.00           C  
HETATM   37  C   UNL     1       7.785   2.824   1.595  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.738  -3.713  -0.236  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.085   3.154  -1.824  1.00  0.00           C  
HETATM   40  C   UNL     1       7.016   2.407  -0.769  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.302  -4.138   0.074  1.00  0.00           C  
HETATM   42  C   UNL     1       6.707   2.475   0.675  1.00  0.00           C  
HETATM   43  C   UNL     1       0.362   1.723   0.970  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.357  -2.951  -0.124  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.583   3.357  -3.256  1.00  0.00           C  
HETATM   46  C   UNL     1       1.348   1.117  -0.040  1.00  0.00           C  
HETATM   47  C   UNL     1       5.375   2.172   0.798  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.665   1.975  -2.607  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.830  -1.784   0.702  1.00  0.00           C  
HETATM   50  C   UNL     1       1.159  -0.403   0.063  1.00  0.00           C  
HETATM   51  C   UNL     1       3.591   1.591  -0.701  1.00  0.00           C  
HETATM   52  H   UNL     1      -4.786   1.931   3.972  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.046   2.268   2.668  1.00  0.00           H  
HETATM   54  H   UNL     1       1.320  -3.074   1.173  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.469   1.142   3.209  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.744  -0.510   3.303  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.746   3.447   0.668  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.179   0.270   1.572  1.00  0.00           H  
HETATM   59  H   UNL     1       4.673  -4.911  -3.010  1.00  0.00           H  
HETATM   60  H   UNL     1       3.130  -4.059  -2.761  1.00  0.00           H  
HETATM   61  H   UNL     1       4.616  -3.454  -1.990  1.00  0.00           H  
HETATM   62  H   UNL     1       5.655  -4.729  -0.109  1.00  0.00           H  
HETATM   63  H   UNL     1       4.911  -6.242   0.459  1.00  0.00           H  
HETATM   64  H   UNL     1       5.712  -6.187  -1.130  1.00  0.00           H  
HETATM   65  H   UNL     1       3.627  -7.036  -2.212  1.00  0.00           H  
HETATM   66  H   UNL     1       2.825  -7.092  -0.624  1.00  0.00           H  
HETATM   67  H   UNL     1       2.084  -6.183  -1.964  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.025  -1.927   0.637  1.00  0.00           H  
HETATM   69  H   UNL     1       5.709   1.928  -2.456  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.105  -1.810   1.211  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.934  -2.607   2.567  1.00  0.00           H  
HETATM   72  H   UNL     1      10.288   3.210  -0.627  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.331   0.416   2.548  1.00  0.00           H  
HETATM   74  H   UNL     1       8.588   2.642  -2.240  1.00  0.00           H  
HETATM   75  H   UNL     1       9.823   3.332   1.768  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.818  -4.325   1.125  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.304  -3.447  -0.336  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.286  -4.287   1.766  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.816  -5.424   0.503  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.997  -4.022  -1.249  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.820  -2.629  -0.156  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.689   3.570  -1.017  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.241  -4.481   1.107  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.011  -4.947  -0.595  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.265   2.468   0.480  1.00  0.00           H  
HETATM   86  H   UNL     1       0.905   2.179   1.797  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.345  -2.669  -1.176  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.515   3.906  -3.392  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.834   3.505  -4.034  1.00  0.00           H  
HETATM   90  H   UNL     1       1.115   1.460  -1.048  1.00  0.00           H  
HETATM   91  H   UNL     1       4.819   2.135   1.723  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.970   1.212  -2.957  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.651   1.613  -2.315  1.00  0.00           H  
HETATM   94  H   UNL     1       1.975  -0.840   0.640  1.00  0.00           H  
HETATM   95  H   UNL     1       1.133  -0.842  -0.934  1.00  0.00           H  
CONECT    1    9    6   52   53                                       
CONECT    2   37                                                      
CONECT    3   36   44   54                                            
CONECT    4   24   36                                                 
CONECT    5   14   14   10   39                                       
CONECT    5   19   19                                                 
CONECT    6    1    9    7   12                                       
CONECT    7    6   27   55                                            
CONECT    8   36   36                                                 
CONECT    9    1    6   15   56                                       
CONECT   10    5   12   57                                            
CONECT   11   49   49                                                 
CONECT   12    6   10   25   25                                       
CONECT   13   47   28   51                                            
CONECT   14    5    5                                                 
CONECT   15    9   26   26   58                                       
CONECT   16   31   49   50                                            
CONECT   17   51   51                                                 
CONECT   18   24   59   60   61                                       
CONECT   19    5    5                                                 
CONECT   20   24   62   63   64                                       
CONECT   21   27   27                                                 
CONECT   22   24   65   66   67                                       
CONECT   23   51   46                                                 
CONECT   24    4   18   20   22                                       
CONECT   25   12   12                                                 
CONECT   26   15   15   29   68                                       
CONECT   27    7   21   21   31                                       
CONECT   28   13   40   40   69                                       
CONECT   29   26   34   70   71                                       
CONECT   30   33   32   32   72                                       
CONECT   31   16   27   43   73                                       
CONECT   32   30   30   40   74                                       
CONECT   33   30   37   37   75                                       
CONECT   34   29   35   76   77                                       
CONECT   35   34   38   78   79                                       
CONECT   36    3    4    8    8                                       
CONECT   37    2   33   33   42                                       
CONECT   38   35   41   80   81                                       
CONECT   39    5   48   45   82                                       
CONECT   40   28   28   32   42                                       
CONECT   41   38   44   83   84                                       
CONECT   42   37   40   47   47                                       
CONECT   43   31   46   85   86                                       
CONECT   44    3   41   49   87                                       
CONECT   45   39   48   88   89                                       
CONECT   46   23   43   50   90                                       
CONECT   47   13   42   42   91                                       
CONECT   48   39   45   92   93                                       
CONECT   49   11   11   16   44                                       
CONECT   50   16   46   94   95                                       
CONECT   51   13   17   17   23                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    3                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
