COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.210  -0.634  -0.308  1.00  0.00           C  
HETATM    2  C   UNL     1       5.511  -1.440  -0.327  1.00  0.00           C  
HETATM    3  C   UNL     1       6.082  -5.070   0.495  1.00  0.00           C  
HETATM    4  C   UNL     1       6.424  -3.654   0.025  1.00  0.00           C  
HETATM    5  C   UNL     1       4.926  -2.686   1.665  1.00  0.00           C  
HETATM    6  C   UNL     1       4.540  -4.072   2.185  1.00  0.00           C  
HETATM    7  C   UNL     1       5.714  -5.034   1.981  1.00  0.00           C  
HETATM    8  C   UNL     1       2.927   1.780  -0.905  1.00  0.00           C  
HETATM    9  C   UNL     1       1.851   1.084  -0.372  1.00  0.00           C  
HETATM   10  C   UNL     1       0.604   1.697  -0.288  1.00  0.00           C  
HETATM   11  C   UNL     1       0.443   3.006  -0.738  1.00  0.00           C  
HETATM   12  C   UNL     1       1.518   3.693  -1.267  1.00  0.00           C  
HETATM   13  C   UNL     1       2.757   3.086  -1.352  1.00  0.00           C  
HETATM   14  C   UNL     1       3.926   3.842  -1.929  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.551   0.959   0.280  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.590   1.509   1.043  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.449   0.512   1.367  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.705   0.699   2.181  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.614   2.031   2.934  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.771   2.948   1.465  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.594  -1.953   0.950  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.560  -2.165  -0.217  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.299  -3.492  -0.033  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.296  -2.689  -1.141  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.156  -2.841  -2.398  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.756  -4.250  -2.433  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.623  -5.279  -2.397  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.778  -5.057  -1.140  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.918   4.118   1.684  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.307   4.228   2.258  1.00  0.00           C  
HETATM   31  F   UNL     1       6.814  -4.592   2.725  1.00  0.00           F  
HETATM   32  F   UNL     1       3.513   5.124  -2.305  1.00  0.00           F  
HETATM   33  F   UNL     1       4.937   3.941  -0.967  1.00  0.00           F  
HETATM   34  F   UNL     1       4.413   3.161  -3.050  1.00  0.00           F  
HETATM   35  N   UNL     1      -1.975  -0.630   0.837  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.787  -0.333   0.153  1.00  0.00           N  
HETATM   37  N   UNL     1       5.269  -2.774   0.240  1.00  0.00           N  
HETATM   38  N   UNL     1      -3.133   3.073   2.015  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.227  -3.695  -1.154  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.827  -2.194  -1.444  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.507   4.969   0.924  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.936   5.411   1.760  1.00  0.00           O  
HETATM   43  S   UNL     1       4.509   1.013  -1.008  1.00  0.00           S  
HETATM   44  H   UNL     1       3.455  -1.150  -0.902  1.00  0.00           H  
HETATM   45  H   UNL     1       3.859  -0.534   0.719  1.00  0.00           H  
HETATM   46  H   UNL     1       5.862  -1.540  -1.354  1.00  0.00           H  
HETATM   47  H   UNL     1       6.266  -0.925   0.267  1.00  0.00           H  
HETATM   48  H   UNL     1       5.238  -5.451  -0.079  1.00  0.00           H  
HETATM   49  H   UNL     1       6.945  -5.720   0.350  1.00  0.00           H  
HETATM   50  H   UNL     1       7.277  -3.279   0.590  1.00  0.00           H  
HETATM   51  H   UNL     1       6.673  -3.675  -1.036  1.00  0.00           H  
HETATM   52  H   UNL     1       4.087  -2.002   1.795  1.00  0.00           H  
HETATM   53  H   UNL     1       5.786  -2.315   2.223  1.00  0.00           H  
HETATM   54  H   UNL     1       4.301  -4.009   3.246  1.00  0.00           H  
HETATM   55  H   UNL     1       3.671  -4.437   1.637  1.00  0.00           H  
HETATM   56  H   UNL     1       5.428  -6.033   2.310  1.00  0.00           H  
HETATM   57  H   UNL     1       1.980   0.070  -0.025  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.524   3.484  -0.674  1.00  0.00           H  
HETATM   59  H   UNL     1       1.391   4.707  -1.615  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.571   0.712   1.518  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.804  -0.120   2.893  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.599   2.305   3.312  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.919   1.931   3.768  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.037   3.206   2.228  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.658   3.605   0.602  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.141  -2.019   1.890  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.820  -2.720   0.924  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.282  -1.348  -0.245  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.578  -4.309  -0.006  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.859  -3.470   0.902  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.857  -1.692  -1.120  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.918  -2.831  -0.257  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.960  -2.104  -2.380  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.539  -2.685  -3.282  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.404  -4.392  -1.569  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.335  -4.377  -3.348  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.044  -6.284  -2.378  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.997  -5.163  -3.282  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.402  -5.187  -0.256  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.962  -5.779  -1.118  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.892   3.355   1.964  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.249   4.277   3.345  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.165  -2.898  -1.489  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.835   5.546   2.089  1.00  0.00           H  
CONECT    1   43    2   44   45                                       
CONECT    2    1   37   46   47                                       
CONECT    3    4    7   48   49                                       
CONECT    4   37    3   50   51                                       
CONECT    5   37    6   52   53                                       
CONECT    6    5    7   54   55                                       
CONECT    7   31    3    6   56                                       
CONECT    8   43   13    9    9                                       
CONECT    9    8    8   10   57                                       
CONECT   10   11   11    9   15                                       
CONECT   11   12   10   10   58                                       
CONECT   12   13   13   11   59                                       
CONECT   13   14   12   12    8                                       
CONECT   14   33   32   34   13                                       
CONECT   15   10   36   36   16                                       
CONECT   16   15   20   17   17                                       
CONECT   17   16   16   35   18                                       
CONECT   18   17   19   60   61                                       
CONECT   19   38   18   62   63                                       
CONECT   20   16   38   64   65                                       
CONECT   21   35   22   66   67                                       
CONECT   22   23   21   40   68                                       
CONECT   23   39   22   69   70                                       
CONECT   24   39   25   71   72                                       
CONECT   25   26   24   73   74                                       
CONECT   26   27   25   75   76                                       
CONECT   27   28   26   77   78                                       
CONECT   28   27   39   79   80                                       
CONECT   29   41   41   38   30                                       
CONECT   30   29   42   81   82                                       
CONECT   31    7                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   36   17   21                                            
CONECT   36   15   15   35                                            
CONECT   37    2    4    5                                            
CONECT   38   20   29   19                                            
CONECT   39   28   23   24                                            
CONECT   40   22   83                                                 
CONECT   41   29   29                                                 
CONECT   42   30   84                                                 
CONECT   43    8    1                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   40                                                      
CONECT   84   42                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
