COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.416   5.053  -0.898  1.00  0.00           C  
HETATM    2  O   UNL     1       1.430   4.018  -0.895  1.00  0.00           O  
HETATM    3  C   UNL     1       1.871   2.746  -0.709  1.00  0.00           C  
HETATM    4  C   UNL     1       3.217   2.501  -0.528  1.00  0.00           C  
HETATM    5  C   UNL     1       3.667   1.191  -0.336  1.00  0.00           C  
HETATM    6  C   UNL     1       2.753   0.134  -0.328  1.00  0.00           C  
HETATM    7  C   UNL     1       1.410   0.384  -0.509  1.00  0.00           C  
HETATM    8  C   UNL     1       0.961   1.686  -0.695  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.399   1.935  -0.872  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.338   1.046  -0.370  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.928   0.036   0.381  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.791  -0.842   0.877  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.136  -0.684   0.598  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.090  -1.600   1.065  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.120  -2.004   2.473  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.982  -2.098   0.181  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.864  -2.842   0.554  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.868  -1.722  -1.273  1.00  0.00           C  
HETATM   19  F   UNL     1      -3.528  -1.797  -1.665  1.00  0.00           F  
HETATM   20  C   UNL     1      -5.381  -0.303  -1.500  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.883   0.597  -0.456  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.686   0.480   0.768  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.150   1.436   1.862  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.386   1.641   2.773  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.574   1.703   1.791  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.129   0.965   0.516  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.540   0.402  -0.188  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.620   1.238  -0.651  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.683  -2.683  -2.099  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.101  -3.410  -3.021  1.00  0.00           C  
HETATM   31  C   UNL     1       5.105   0.924  -0.142  1.00  0.00           C  
HETATM   32  O   UNL     1       5.900   1.844  -0.149  1.00  0.00           O  
HETATM   33  N   UNL     1       5.538  -0.339   0.043  1.00  0.00           N  
HETATM   34  N   UNL     1       6.869  -0.586   0.222  1.00  0.00           N  
HETATM   35  C   UNL     1       7.116  -1.226   1.522  1.00  0.00           C  
HETATM   36  C   UNL     1       8.622  -1.412   1.717  1.00  0.00           C  
HETATM   37  N   UNL     1       9.159  -2.230   0.621  1.00  0.00           N  
HETATM   38  C   UNL     1      10.591  -2.495   0.813  1.00  0.00           C  
HETATM   39  C   UNL     1       8.912  -1.590  -0.679  1.00  0.00           C  
HETATM   40  C   UNL     1       7.406  -1.403  -0.875  1.00  0.00           C  
HETATM   41  H   UNL     1       1.932   6.016  -1.056  1.00  0.00           H  
HETATM   42  H   UNL     1       2.937   5.060   0.059  1.00  0.00           H  
HETATM   43  H   UNL     1       3.132   4.870  -1.700  1.00  0.00           H  
HETATM   44  H   UNL     1       3.922   3.319  -0.535  1.00  0.00           H  
HETATM   45  H   UNL     1       3.098  -0.878  -0.180  1.00  0.00           H  
HETATM   46  H   UNL     1       0.704  -0.433  -0.503  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.689   2.730  -1.347  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.450  -1.664   1.488  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.837  -1.386   3.013  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.417  -3.051   2.544  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.129  -1.877   2.908  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.041   0.051  -2.473  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.471  -0.308  -1.481  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.687  -0.550   1.126  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.335   0.970   2.417  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.831   2.382   1.426  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.500   0.799   3.457  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.301   2.575   3.328  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.443   1.209   2.224  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.812   2.741   1.558  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.150   1.644  -0.336  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.782   0.112   0.331  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.746  -2.772  -1.933  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.685  -4.099  -3.614  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.038  -3.321  -3.188  1.00  0.00           H  
HETATM   66  H   UNL     1       4.903  -1.073   0.049  1.00  0.00           H  
HETATM   67  H   UNL     1       6.721  -0.595   2.318  1.00  0.00           H  
HETATM   68  H   UNL     1       6.622  -2.197   1.548  1.00  0.00           H  
HETATM   69  H   UNL     1       9.112  -0.439   1.719  1.00  0.00           H  
HETATM   70  H   UNL     1       8.806  -1.913   2.668  1.00  0.00           H  
HETATM   71  H   UNL     1      10.738  -3.030   1.752  1.00  0.00           H  
HETATM   72  H   UNL     1      10.962  -3.102  -0.012  1.00  0.00           H  
HETATM   73  H   UNL     1      11.134  -1.551   0.844  1.00  0.00           H  
HETATM   74  H   UNL     1       9.405  -0.618  -0.705  1.00  0.00           H  
HETATM   75  H   UNL     1       9.307  -2.220  -1.476  1.00  0.00           H  
HETATM   76  H   UNL     1       6.916  -2.377  -0.876  1.00  0.00           H  
HETATM   77  H   UNL     1       7.222  -0.902  -1.825  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   44                                       
CONECT    5    4   31    6    6                                       
CONECT    6    5    5    7   45                                       
CONECT    7    8    8    6   46                                       
CONECT    8    3    9    7    7                                       
CONECT    9    8   10   47                                            
CONECT   10    9   11   11   28                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   48                                       
CONECT   13   12   12   27   14                                       
CONECT   14   13   15   16                                            
CONECT   15   14   49   50   51                                       
CONECT   16   14   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   20   29   19                                       
CONECT   19   18                                                      
CONECT   20   21   18   52   53                                       
CONECT   21   27   22   20                                            
CONECT   22   21   26   23   54                                       
CONECT   23   22   24   55   56                                       
CONECT   24   23   25   57   58                                       
CONECT   25   26   24   59   60                                       
CONECT   26   22   25   61   62                                       
CONECT   27   28   28   13   21                                       
CONECT   28   10   27   27                                            
CONECT   29   18   30   30   63                                       
CONECT   30   29   29   64   65                                       
CONECT   31   32   32    5   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   66                                            
CONECT   34   33   35   40                                            
CONECT   35   34   36   67   68                                       
CONECT   36   35   37   69   70                                       
CONECT   37   36   39   38                                            
CONECT   38   37   71   72   73                                       
CONECT   39   40   37   74   75                                       
CONECT   40   34   39   76   77                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
