COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.570  -1.222   1.727  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.090  -1.296   1.465  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.323  -0.800   0.101  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.020  -0.450  -0.504  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.097  -0.173   0.693  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.513  -1.673  -1.271  1.00  0.00           C  
HETATM    7  C   UNL     1       0.847  -1.355  -1.886  1.00  0.00           C  
HETATM    8  C   UNL     1       1.801  -0.910  -0.808  1.00  0.00           C  
HETATM    9  C   UNL     1       1.353  -0.367   0.375  1.00  0.00           C  
HETATM   10  C   UNL     1       3.161  -1.060  -1.036  1.00  0.00           C  
HETATM   11  C   UNL     1       4.078  -0.668  -0.082  1.00  0.00           C  
HETATM   12  C   UNL     1       3.634  -0.123   1.108  1.00  0.00           C  
HETATM   13  C   UNL     1       2.282   0.026   1.334  1.00  0.00           C  
HETATM   14  C   UNL     1       5.554  -0.835  -0.336  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.371   1.500   1.337  1.00  0.00           S  
HETATM   16  C   UNL     1       0.381   2.559   0.146  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.320   2.935  -0.984  1.00  0.00           C  
HETATM   18  C   UNL     1       0.269   3.765  -1.919  1.00  0.00           C  
HETATM   19  C   UNL     1       2.261   3.847  -0.589  1.00  0.00           C  
HETATM   20  C   UNL     1       1.671   3.016   0.345  1.00  0.00           C  
HETATM   21  C   UNL     1       1.562   4.220  -1.724  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.751   1.836   1.282  1.00  0.00           O  
HETATM   23  O   UNL     1       0.388   1.710   2.520  1.00  0.00           O  
HETATM   24  C   UNL     1       6.342   0.020   0.659  1.00  0.00           C  
HETATM   25  C   UNL     1       5.939  -2.305  -0.162  1.00  0.00           C  
HETATM   26  F   UNL     1       5.852  -0.425  -1.640  1.00  0.00           F  
HETATM   27  F   UNL     1       5.218  -3.086  -1.072  1.00  0.00           F  
HETATM   28  F   UNL     1       7.309  -2.460  -0.398  1.00  0.00           F  
HETATM   29  F   UNL     1       5.641  -2.714   1.142  1.00  0.00           F  
HETATM   30  F   UNL     1       5.890   1.342   0.599  1.00  0.00           F  
HETATM   31  F   UNL     1       6.154  -0.479   1.953  1.00  0.00           F  
HETATM   32  F   UNL     1       7.702  -0.023   0.336  1.00  0.00           F  
HETATM   33  F   UNL     1       2.138   5.031  -2.637  1.00  0.00           F  
HETATM   34  C   UNL     1      -3.525  -0.683  -0.499  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.777  -1.079   0.240  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.598  -0.260  -1.633  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.983  -2.608   0.162  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.907  -2.739  -1.071  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.606  -1.400  -1.155  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.956  -0.492  -0.407  1.00  0.00           N  
HETATM   41  O   UNL     1      -7.608  -1.179  -1.802  1.00  0.00           O  
HETATM   42  F   UNL     1      -6.837  -3.766  -0.879  1.00  0.00           F  
HETATM   43  C   UNL     1      -6.371   0.905  -0.258  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.226   1.051   1.002  1.00  0.00           C  
HETATM   45  O   UNL     1      -6.444   0.715   2.150  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.714   2.497   1.123  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.431   0.112   0.913  1.00  0.00           C  
HETATM   48  H   UNL     1      -0.368  -0.881   2.742  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.098  -2.187   1.542  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.430  -2.328   1.548  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.621  -0.670   2.183  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.108   0.417  -1.158  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.415  -2.517  -0.588  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.220  -1.925  -2.062  1.00  0.00           H  
HETATM   55  H   UNL     1       1.242  -2.247  -2.373  1.00  0.00           H  
HETATM   56  H   UNL     1       0.735  -0.559  -2.622  1.00  0.00           H  
HETATM   57  H   UNL     1       3.505  -1.486  -1.967  1.00  0.00           H  
HETATM   58  H   UNL     1       4.345   0.185   1.860  1.00  0.00           H  
HETATM   59  H   UNL     1       1.941   0.453   2.266  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.329   2.581  -1.136  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.280   4.059  -2.802  1.00  0.00           H  
HETATM   62  H   UNL     1       3.270   4.201  -0.435  1.00  0.00           H  
HETATM   63  H   UNL     1       2.216   2.725   1.230  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.718  -0.758   1.280  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.036  -3.122  -0.004  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.475  -2.982   1.059  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.319  -2.922  -1.971  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.488   1.539  -0.174  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.953   1.207  -1.129  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.924   0.785   2.987  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.310   2.753   0.247  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.323   2.601   2.021  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.855   3.165   1.187  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.087  -0.922   0.926  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.091   0.287   1.762  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.972   0.303  -0.014  1.00  0.00           H  
CONECT    1    2    5   48   49                                       
CONECT    2    1    3   50   51                                       
CONECT    3    2   34    4                                            
CONECT    4    5    3    6   52                                       
CONECT    5    1   15    9    4                                       
CONECT    6    4    7   53   54                                       
CONECT    7    8    6   55   56                                       
CONECT    8    9    9   10    7                                       
CONECT    9   13    5    8    8                                       
CONECT   10   11   11    8   57                                       
CONECT   11   12   14   10   10                                       
CONECT   12   13   13   11   58                                       
CONECT   13   12   12    9   59                                       
CONECT   14   25   11   24   26                                       
CONECT   15   22   22   23   23                                       
CONECT   15    5   16                                                 
CONECT   16   15   20   20   17                                       
CONECT   17   16   18   18   60                                       
CONECT   18   17   17   21   61                                       
CONECT   19   20   21   21   62                                       
CONECT   20   16   16   19   63                                       
CONECT   21   19   19   18   33                                       
CONECT   22   15   15                                                 
CONECT   23   15   15                                                 
CONECT   24   32   14   31   30                                       
CONECT   25   29   28   27   14                                       
CONECT   26   14                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   25                                                      
CONECT   30   24                                                      
CONECT   31   24                                                      
CONECT   32   24                                                      
CONECT   33   21                                                      
CONECT   34   35    3   36   36                                       
CONECT   35   40   34   37   64                                       
CONECT   36   34   34                                                 
CONECT   37   35   38   65   66                                       
CONECT   38   37   39   42   67                                       
CONECT   39   40   41   41   38                                       
CONECT   40   43   35   39                                            
CONECT   41   39   39                                                 
CONECT   42   38                                                      
CONECT   43   44   40   68   69                                       
CONECT   44   45   47   46   43                                       
CONECT   45   44   70                                                 
CONECT   46   44   71   72   73                                       
CONECT   47   44   74   75   76                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   43                                                      
CONECT   69   43                                                      
CONECT   70   45                                                      
CONECT   71   46                                                      
CONECT   72   46                                                      
CONECT   73   46                                                      
CONECT   74   47                                                      
CONECT   75   47                                                      
CONECT   76   47                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
