COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.160   3.043  -0.641  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.406   3.432   0.157  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.988   4.173   1.428  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.294   4.341  -0.695  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.346   2.052   0.149  1.00  0.00           C  
HETATM    6  O   UNL     1      -9.725   1.691   1.243  1.00  0.00           O  
HETATM    7  N   UNL     1      -8.196   1.566  -0.359  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.405   0.601   0.409  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.964   0.676  -0.024  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.630   1.457  -0.890  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.940  -0.810   0.161  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.838  -1.140  -1.330  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.404  -0.886   0.601  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.045  -0.126   0.550  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.644  -0.054   0.128  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.965  -1.370   0.413  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.341  -2.057   1.339  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.937   1.062   0.899  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.671   2.385   0.670  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.494   1.188   0.406  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.942  -1.781  -0.361  1.00  0.00           N  
HETATM   22  C   UNL     1       2.363  -1.724  -0.504  1.00  0.00           C  
HETATM   23  F   UNL     1      -2.022  -4.091  -1.990  1.00  0.00           F  
HETATM   24  C   UNL     1       0.934  -1.724  -0.024  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.236  -4.279  -0.064  1.00  0.00           F  
HETATM   26  O   UNL     1       2.756  -2.606  -1.238  1.00  0.00           O  
HETATM   27  C   UNL     1       0.201  -2.935  -0.604  1.00  0.00           C  
HETATM   28  F   UNL     1      -1.247  -5.383  -0.273  1.00  0.00           F  
HETATM   29  O   UNL     1       0.122  -2.808  -2.025  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.211  -3.004  -0.019  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.944  -4.215  -0.599  1.00  0.00           C  
HETATM   32  N   UNL     1       3.204  -0.744  -0.119  1.00  0.00           N  
HETATM   33  C   UNL     1       4.592  -0.744  -0.586  1.00  0.00           C  
HETATM   34  C   UNL     1       5.452   0.011   0.395  1.00  0.00           C  
HETATM   35  O   UNL     1       4.954   0.501   1.386  1.00  0.00           O  
HETATM   36  C   UNL     1       4.670  -0.070  -1.957  1.00  0.00           C  
HETATM   37  N   UNL     1       6.775   0.141   0.171  1.00  0.00           N  
HETATM   38  C   UNL     1       9.634   2.981  -1.349  1.00  0.00           C  
HETATM   39  F   UNL     1       8.774  -1.130   1.715  1.00  0.00           F  
HETATM   40  O   UNL     1       9.496   3.846  -2.366  1.00  0.00           O  
HETATM   41  C   UNL     1       8.416   2.355  -0.721  1.00  0.00           C  
HETATM   42  F   UNL     1       6.911  -0.558   2.908  1.00  0.00           F  
HETATM   43  O   UNL     1      10.736   2.705  -0.937  1.00  0.00           O  
HETATM   44  C   UNL     1       8.849   1.415   0.406  1.00  0.00           C  
HETATM   45  F   UNL     1       8.842   0.637   3.161  1.00  0.00           F  
HETATM   46  O   UNL     1       9.595   0.326  -0.142  1.00  0.00           O  
HETATM   47  C   UNL     1       7.611   0.875   1.124  1.00  0.00           C  
HETATM   48  C   UNL     1       8.044  -0.064   2.251  1.00  0.00           C  
HETATM   49  C   UNL     1      10.712   4.411  -2.921  1.00  0.00           C  
HETATM   50  H   UNL     1      -9.560   3.933  -0.834  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.460   2.595  -1.588  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.960   2.532   0.426  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.875   4.449   1.997  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.355   3.525   2.035  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.434   5.073   1.158  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.593   3.813  -1.600  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.182   4.617  -0.126  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.741   5.240  -0.964  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.893   1.855  -1.234  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.478   0.836   1.471  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.352  -1.528   0.733  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.796  -1.086  -1.643  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.220  -2.145  -1.507  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.427  -0.422  -1.901  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.785  -1.891   0.424  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.476  -0.651   1.663  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.992  -0.168   0.029  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.312  -0.752   1.242  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.596   0.155  -0.940  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.937   0.826   1.963  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.699   2.295   1.022  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.167   3.180   1.219  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.670   2.621  -0.394  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.490   1.311  -0.677  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.024   2.054   0.872  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.939   0.287   0.670  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.689  -1.268  -1.144  1.00  0.00           H  
HETATM   78  H   UNL     1       0.917  -1.775   1.064  1.00  0.00           H  
HETATM   79  H   UNL     1       0.441  -0.809  -0.352  1.00  0.00           H  
HETATM   80  H   UNL     1       0.745  -3.845  -0.350  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.350  -2.019  -2.324  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.151  -3.101   1.065  1.00  0.00           H  
HETATM   83  H   UNL     1       2.889  -0.039   0.468  1.00  0.00           H  
HETATM   84  H   UNL     1       4.949  -1.771  -0.665  1.00  0.00           H  
HETATM   85  H   UNL     1       4.313   0.957  -1.877  1.00  0.00           H  
HETATM   86  H   UNL     1       5.703  -0.070  -2.304  1.00  0.00           H  
HETATM   87  H   UNL     1       4.048  -0.616  -2.666  1.00  0.00           H  
HETATM   88  H   UNL     1       7.173  -0.251  -0.622  1.00  0.00           H  
HETATM   89  H   UNL     1       7.869   1.789  -1.476  1.00  0.00           H  
HETATM   90  H   UNL     1       7.773   3.136  -0.317  1.00  0.00           H  
HETATM   91  H   UNL     1       9.471   1.961   1.115  1.00  0.00           H  
HETATM   92  H   UNL     1       9.102  -0.205  -0.782  1.00  0.00           H  
HETATM   93  H   UNL     1       7.042   1.706   1.541  1.00  0.00           H  
HETATM   94  H   UNL     1      11.248   4.956  -2.144  1.00  0.00           H  
HETATM   95  H   UNL     1      11.344   3.609  -3.303  1.00  0.00           H  
HETATM   96  H   UNL     1      10.459   5.092  -3.734  1.00  0.00           H  
CONECT    1    5    2   50   51                                       
CONECT    2    1    3    4   52                                       
CONECT    3    2   53   54   55                                       
CONECT    4    2   56   57   58                                       
CONECT    5    7    6    6    1                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   59                                            
CONECT    8    9   11    7   60                                       
CONECT    9   14   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11    8   13   12   61                                       
CONECT   12   11   62   63   64                                       
CONECT   13   11   65   66   67                                       
CONECT   14   15    9   68                                            
CONECT   15   16   18   14   69                                       
CONECT   16   21   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   15   20   19   70                                       
CONECT   19   18   71   72   73                                       
CONECT   20   18   74   75   76                                       
CONECT   21   30   16   77                                            
CONECT   22   32   26   26   24                                       
CONECT   23   31                                                      
CONECT   24   22   27   78   79                                       
CONECT   25   31                                                      
CONECT   26   22   22                                                 
CONECT   27   24   29   30   80                                       
CONECT   28   31                                                      
CONECT   29   27   81                                                 
CONECT   30   27   31   21   82                                       
CONECT   31   30   28   25   23                                       
CONECT   32   33   22   83                                            
CONECT   33   34   36   32   84                                       
CONECT   34   37   35   35   33                                       
CONECT   35   34   34                                                 
CONECT   36   33   85   86   87                                       
CONECT   37   47   34   88                                            
CONECT   38   41   43   43   40                                       
CONECT   39   48                                                      
CONECT   40   38   49                                                 
CONECT   41   44   38   89   90                                       
CONECT   42   48                                                      
CONECT   43   38   38                                                 
CONECT   44   47   46   41   91                                       
CONECT   45   48                                                      
CONECT   46   44   92                                                 
CONECT   47   48   44   37   93                                       
CONECT   48   45   39   42   47                                       
CONECT   49   40   94   95   96                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   27                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   44                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   49                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
