COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.510  -1.571   3.118  1.00  0.00           C  
HETATM    2  C   UNL     1       1.918   0.713   3.714  1.00  0.00           C  
HETATM    3  C   UNL     1       1.229   0.179   1.483  1.00  0.00           C  
HETATM    4  C   UNL     1       4.378   1.842  -0.967  1.00  0.00           C  
HETATM    5  C   UNL     1       6.773   1.824  -1.412  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.477   1.321   0.093  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.395   2.584   0.955  1.00  0.00           C  
HETATM    8  C   UNL     1       2.499  -3.506  -3.192  1.00  0.00           C  
HETATM    9  C   UNL     1       2.451  -4.282  -1.875  1.00  0.00           C  
HETATM   10  C   UNL     1       1.406  -3.678  -0.973  1.00  0.00           C  
HETATM   11  C   UNL     1       0.083  -4.066  -1.092  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.881  -3.516  -0.268  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.528  -2.576   0.679  1.00  0.00           C  
HETATM   14  C   UNL     1       0.802  -2.181   0.804  1.00  0.00           C  
HETATM   15  C   UNL     1       1.771  -2.743  -0.026  1.00  0.00           C  
HETATM   16  C   UNL     1       1.187  -1.172   1.820  1.00  0.00           C  
HETATM   17  F   UNL     1       1.472  -2.880   3.453  1.00  0.00           F  
HETATM   18  C   UNL     1       1.874  -0.626   4.058  1.00  0.00           C  
HETATM   19  C   UNL     1       1.599   1.114   2.430  1.00  0.00           C  
HETATM   20  C   UNL     1       0.882   0.619   0.084  1.00  0.00           C  
HETATM   21  O   UNL     1       0.822  -0.523  -0.773  1.00  0.00           O  
HETATM   22  C   UNL     1       1.952   1.585  -0.427  1.00  0.00           C  
HETATM   23  C   UNL     1       3.307   0.876  -0.455  1.00  0.00           C  
HETATM   24  N   UNL     1       5.676   1.163  -0.993  1.00  0.00           N  
HETATM   25  O   UNL     1       6.686   2.983  -1.767  1.00  0.00           O  
HETATM   26  O   UNL     1       7.966   1.200  -1.437  1.00  0.00           O  
HETATM   27  C   UNL     1       9.105   1.973  -1.899  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.745   3.305   0.937  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.818   2.385   1.528  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.805   1.111   0.796  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.536   0.380   0.674  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.935   0.623   0.247  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.910  -0.430  -0.355  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.228   1.385   0.380  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.347   0.618  -0.327  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.683   1.326  -0.087  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.789   0.589  -0.846  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.473   0.575  -2.281  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.218  -0.141  -2.541  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.065   0.574  -1.832  1.00  0.00           C  
HETATM   41  H   UNL     1       2.207   1.448   4.451  1.00  0.00           H  
HETATM   42  H   UNL     1       4.119   2.171  -1.973  1.00  0.00           H  
HETATM   43  H   UNL     1       4.433   2.706  -0.305  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.753   1.594  -0.926  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.144   2.309   1.979  1.00  0.00           H  
HETATM   46  H   UNL     1       0.375   3.245   0.557  1.00  0.00           H  
HETATM   47  H   UNL     1       2.835  -2.487  -3.001  1.00  0.00           H  
HETATM   48  H   UNL     1       3.191  -3.995  -3.877  1.00  0.00           H  
HETATM   49  H   UNL     1       1.504  -3.483  -3.637  1.00  0.00           H  
HETATM   50  H   UNL     1       2.199  -5.324  -2.076  1.00  0.00           H  
HETATM   51  H   UNL     1       3.425  -4.232  -1.388  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.197  -4.801  -1.832  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.912  -3.822  -0.366  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.283  -2.146   1.322  1.00  0.00           H  
HETATM   55  H   UNL     1       2.803  -2.441   0.067  1.00  0.00           H  
HETATM   56  H   UNL     1       2.125  -0.933   5.063  1.00  0.00           H  
HETATM   57  H   UNL     1       1.635   2.161   2.167  1.00  0.00           H  
HETATM   58  H   UNL     1       0.603  -0.315  -1.691  1.00  0.00           H  
HETATM   59  H   UNL     1       1.693   1.914  -1.434  1.00  0.00           H  
HETATM   60  H   UNL     1       2.007   2.449   0.235  1.00  0.00           H  
HETATM   61  H   UNL     1       3.252   0.012  -1.117  1.00  0.00           H  
HETATM   62  H   UNL     1       3.566   0.547   0.551  1.00  0.00           H  
HETATM   63  H   UNL     1       5.745   0.238  -0.710  1.00  0.00           H  
HETATM   64  H   UNL     1       8.927   2.306  -2.922  1.00  0.00           H  
HETATM   65  H   UNL     1       9.242   2.841  -1.253  1.00  0.00           H  
HETATM   66  H   UNL     1      10.001   1.353  -1.869  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.679   4.216   1.531  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.008   3.558  -0.090  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.604   2.204   2.581  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.797   2.854   1.427  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.670  -0.475   0.011  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.218   0.035   1.658  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.476   1.498   1.436  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.118   2.369  -0.075  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.397  -0.398   0.065  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.910   1.323   0.979  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.620   2.354  -0.443  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.861  -0.435  -0.480  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.740   1.099  -0.689  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.233   0.178  -2.814  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.297  -1.162  -2.166  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.027  -0.162  -3.614  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.976   1.590  -2.215  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.136   0.033  -2.012  1.00  0.00           H  
CONECT    1   18   18   16   17                                       
CONECT    2   19   19   18   41                                       
CONECT    3   19   20   16   16                                       
CONECT    4   23   24   42   43                                       
CONECT    5   25   25   26   24                                       
CONECT    6    7   20   31   44                                       
CONECT    7   28    6   45   46                                       
CONECT    8    9   47   48   49                                       
CONECT    9   10    8   50   51                                       
CONECT   10   15   15   11    9                                       
CONECT   11   12   12   10   52                                       
CONECT   12   13   11   11   53                                       
CONECT   13   14   14   12   54                                       
CONECT   14   16   13   13   15                                       
CONECT   15   14   10   10   55                                       
CONECT   16    3    3    1   14                                       
CONECT   17    1                                                      
CONECT   18    2    1    1   56                                       
CONECT   19    2    2    3   57                                       
CONECT   20   21    3    6   22                                       
CONECT   21   20   58                                                 
CONECT   22   20   23   59   60                                       
CONECT   23   22    4   61   62                                       
CONECT   24    5    4   63                                            
CONECT   25    5    5                                                 
CONECT   26   27    5                                                 
CONECT   27   26   64   65   66                                       
CONECT   28    7   29   67   68                                       
CONECT   29   28   30   69   70                                       
CONECT   30   29   31   32                                            
CONECT   31    6   30   71   72                                       
CONECT   32   30   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   73   74                                       
CONECT   35   34   36   40   75                                       
CONECT   36   35   37   76   77                                       
CONECT   37   36   38   78   79                                       
CONECT   38   37   39   80                                            
CONECT   39   40   38   81   82                                       
CONECT   40   35   39   83   84                                       
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
