COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.350   2.370   0.735  1.00  0.00           O  
HETATM    2  C   UNL     1       5.126  -4.342  -1.822  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.741   3.186  -0.371  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.552   2.730   0.777  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.604   5.333   0.538  1.00  0.00           C  
HETATM    6  C   UNL     1       4.437   0.858  -0.400  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.572  -1.271  -0.080  1.00  0.00           C  
HETATM    8  C   UNL     1       7.085   3.563   0.111  1.00  0.00           C  
HETATM    9  C   UNL     1       6.378   2.368  -0.369  1.00  0.00           C  
HETATM   10  C   UNL     1       5.162   2.084   0.092  1.00  0.00           C  
HETATM   11  C   UNL     1       5.865  -3.443   0.363  1.00  0.00           C  
HETATM   12  C   UNL     1       5.091  -4.548  -0.306  1.00  0.00           C  
HETATM   13  C   UNL     1       3.079  -3.361   0.132  1.00  0.00           C  
HETATM   14  C   UNL     1       3.803  -2.196   0.426  1.00  0.00           C  
HETATM   15  C   UNL     1       3.161  -0.961   0.438  1.00  0.00           C  
HETATM   16  C   UNL     1       5.249  -2.313   0.708  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.411   0.289   0.183  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.004  -0.949  -0.116  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.389  -1.051  -0.112  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.199   1.405   0.466  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.168   0.056   0.174  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.574   1.288   0.461  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.251  -2.029  -0.409  1.00  0.00           O  
HETATM   24  C   UNL     1       1.067  -2.078  -0.130  1.00  0.00           C  
HETATM   25  C   UNL     1       1.788  -0.906   0.166  1.00  0.00           C  
HETATM   26  C   UNL     1       1.064   0.378   0.190  1.00  0.00           C  
HETATM   27  C   UNL     1       1.728  -3.294  -0.150  1.00  0.00           C  
HETATM   28  O   UNL     1       3.734  -4.550   0.138  1.00  0.00           O  
HETATM   29  O   UNL     1       1.646   1.448   0.214  1.00  0.00           O  
HETATM   30  C   UNL     1       5.735  -5.893   0.035  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.521  -0.054   0.175  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.359   3.506  -0.501  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.848   4.717  -0.612  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.656   5.493  -1.889  1.00  0.00           C  
HETATM   35  O   UNL     1       3.854   0.172   0.710  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.067  -1.340  -0.127  1.00  0.00           C  
HETATM   37  O   UNL     1       6.559   4.293   0.928  1.00  0.00           O  
HETATM   38  O   UNL     1       8.316   3.851  -0.355  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.237  -1.516   1.107  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.617  -1.447   1.153  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.332  -1.132   0.010  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.665  -0.886  -1.177  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.285  -0.956  -1.221  1.00  0.00           C  
HETATM   44  F   UNL     1     -10.681  -1.065   0.054  1.00  0.00           F  
HETATM   45  H   UNL     1       6.159  -4.359  -2.167  1.00  0.00           H  
HETATM   46  H   UNL     1       4.566  -5.140  -2.310  1.00  0.00           H  
HETATM   47  H   UNL     1       4.676  -3.380  -2.068  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.314   2.587  -1.079  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.356   4.012  -0.014  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.853   3.580  -0.864  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.192   3.297   1.453  1.00  0.00           H  
HETATM   52  H   UNL     1       0.415   2.561   1.248  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.953   5.391   1.410  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.931   6.335   0.262  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.473   4.718   0.772  1.00  0.00           H  
HETATM   56  H   UNL     1       3.653   1.154  -1.097  1.00  0.00           H  
HETATM   57  H   UNL     1       5.142   0.197  -0.905  1.00  0.00           H  
HETATM   58  H   UNL     1       6.845   1.719  -1.095  1.00  0.00           H  
HETATM   59  H   UNL     1       4.695   2.733   0.818  1.00  0.00           H  
HETATM   60  H   UNL     1       6.918  -3.567   0.567  1.00  0.00           H  
HETATM   61  H   UNL     1       5.790  -1.507   1.180  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.860  -1.998  -0.333  1.00  0.00           H  
HETATM   63  H   UNL     1       1.182  -4.199  -0.370  1.00  0.00           H  
HETATM   64  H   UNL     1       5.721  -6.039   1.115  1.00  0.00           H  
HETATM   65  H   UNL     1       5.178  -6.695  -0.448  1.00  0.00           H  
HETATM   66  H   UNL     1       6.766  -5.902  -0.320  1.00  0.00           H  
HETATM   67  H   UNL     1       0.182   3.065  -1.324  1.00  0.00           H  
HETATM   68  H   UNL     1       0.268   6.068  -1.829  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.599   4.801  -2.730  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.497   6.171  -2.033  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.713  -2.066   0.605  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.749  -1.645  -1.124  1.00  0.00           H  
HETATM   73  H   UNL     1       8.742   4.648  -0.010  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.679  -1.763   1.998  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.136  -1.640   2.080  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.222  -0.641  -2.069  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.764  -0.760  -2.147  1.00  0.00           H  
CONECT    1    3   22                                                 
CONECT    2   12   45   46   47                                       
CONECT    3    1   48   49   50                                       
CONECT    4   32   20   51   52                                       
CONECT    5   33   53   54   55                                       
CONECT    6   10   35   56   57                                       
CONECT    7   36   39   39   43                                       
CONECT    8   37   37    9   38                                       
CONECT    9    8   10   10   58                                       
CONECT   10    9    9    6   59                                       
CONECT   11   16   16   12   60                                       
CONECT   12   11   28    2   30                                       
CONECT   13   14   14   27   28                                       
CONECT   14   15   16   13   13                                       
CONECT   15   35   25   25   14                                       
CONECT   16   14   11   11   61                                       
CONECT   17   20   20   26   18                                       
CONECT   18   17   19   19   23                                       
CONECT   19   21   18   18   62                                       
CONECT   20    4   22   17   17                                       
CONECT   21   22   22   31   19                                       
CONECT   22    1   20   21   21                                       
CONECT   23   18   24                                                 
CONECT   24   25   23   27   27                                       
CONECT   25   26   15   15   24                                       
CONECT   26   29   29   17   25                                       
CONECT   27   24   24   13   63                                       
CONECT   28   13   12                                                 
CONECT   29   26   26                                                 
CONECT   30   12   64   65   66                                       
CONECT   31   21   36                                                 
CONECT   32   33   33    4   67                                       
CONECT   33   34    5   32   32                                       
CONECT   34   33   68   69   70                                       
CONECT   35    6   15                                                 
CONECT   36   31    7   71   72                                       
CONECT   37    8    8                                                 
CONECT   38    8   73                                                 
CONECT   39    7    7   40   74                                       
CONECT   40   39   41   41   75                                       
CONECT   41   40   40   42   44                                       
CONECT   42   43   43   41   76                                       
CONECT   43    7   42   42   77                                       
CONECT   44   41                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   16                                                      
CONECT   62   19                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
