COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.885   2.316   2.203  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.511   4.047  -1.136  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.462   1.999  -0.158  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.120  -2.727   0.874  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.816  -2.747  -1.120  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.698  -2.854  -3.253  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.334  -5.060   1.354  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.364  -3.965   1.456  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.549  -4.192   2.128  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.496  -3.190   2.224  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.258  -1.950   1.644  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.367  -0.053   0.735  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.303   1.082   0.883  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.018   1.252   2.070  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.047   3.215   1.163  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.337   3.056  -0.014  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.068  -1.719   0.968  1.00  0.00           C  
HETATM   18  C   UNL     1       0.473  -2.059  -1.255  1.00  0.00           C  
HETATM   19  C   UNL     1       2.673  -1.403  -1.410  1.00  0.00           C  
HETATM   20  C   UNL     1       5.011  -0.836  -1.594  1.00  0.00           C  
HETATM   21  C   UNL     1       5.336  -1.281  -0.314  1.00  0.00           C  
HETATM   22  C   UNL     1       6.543  -0.886   0.234  1.00  0.00           C  
HETATM   23  C   UNL     1       7.387  -0.064  -0.506  1.00  0.00           C  
HETATM   24  C   UNL     1       5.902  -0.018  -2.272  1.00  0.00           C  
HETATM   25  C   UNL     1       9.340   1.197  -0.901  1.00  0.00           C  
HETATM   26  C   UNL     1      10.742   1.470  -0.347  1.00  0.00           C  
HETATM   27  C   UNL     1      11.239   3.143   1.376  1.00  0.00           C  
HETATM   28  C   UNL     1      11.191   3.611   2.808  1.00  0.00           C  
HETATM   29  C   UNL     1       9.774   1.271   1.976  1.00  0.00           C  
HETATM   30  C   UNL     1       8.409   1.007   1.331  1.00  0.00           C  
HETATM   31  C   UNL     1       1.669  -1.273   0.663  1.00  0.00           C  
HETATM   32  C   UNL     1       0.510  -1.756   0.107  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.742  -1.974   0.920  1.00  0.00           C  
HETATM   34  F   UNL     1      -8.838   5.299  -0.606  1.00  0.00           F  
HETATM   35  F   UNL     1      -7.318   4.144  -1.861  1.00  0.00           F  
HETATM   36  F   UNL     1      -9.537   3.616  -1.984  1.00  0.00           F  
HETATM   37  N   UNL     1      -6.216  -0.936   1.742  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.917  -2.496   0.198  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.692  -2.546  -1.821  1.00  0.00           N  
HETATM   40  N   UNL     1       1.569  -1.870  -1.978  1.00  0.00           N  
HETATM   41  N   UNL     1       3.801  -1.215  -2.191  1.00  0.00           N  
HETATM   42  N   UNL     1       7.045   0.339  -1.719  1.00  0.00           N  
HETATM   43  N   UNL     1       8.604   0.338   0.037  1.00  0.00           N  
HETATM   44  N   UNL     1      10.610   2.007   1.016  1.00  0.00           N  
HETATM   45  N   UNL     1       2.730  -1.108  -0.120  1.00  0.00           N  
HETATM   46  O   UNL     1      -5.735  -0.189  -0.294  1.00  0.00           O  
HETATM   47  O   UNL     1      11.844   3.790   0.547  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.790  -3.182  -1.702  1.00  0.00           O  
HETATM   49  H   UNL     1      -9.442   2.446   3.119  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.909   1.876  -1.077  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.682  -3.224  -3.542  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.468  -1.952  -3.820  1.00  0.00           H  
HETATM   53  H   UNL     1       0.053  -3.616  -3.464  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.653  -4.999   2.203  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.833  -6.029   1.358  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.771  -4.945   0.428  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.737  -5.155   2.580  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.421  -3.371   2.750  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.892   0.551   2.882  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.731   4.044   1.270  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.879  -0.754   0.521  1.00  0.00           H  
HETATM   62  H   UNL     1       4.661  -1.918   0.238  1.00  0.00           H  
HETATM   63  H   UNL     1       6.827  -1.212   1.224  1.00  0.00           H  
HETATM   64  H   UNL     1       5.657   0.331  -3.265  1.00  0.00           H  
HETATM   65  H   UNL     1       8.808   2.141  -1.024  1.00  0.00           H  
HETATM   66  H   UNL     1       9.421   0.697  -1.866  1.00  0.00           H  
HETATM   67  H   UNL     1      11.312   0.541  -0.320  1.00  0.00           H  
HETATM   68  H   UNL     1      11.251   2.197  -0.979  1.00  0.00           H  
HETATM   69  H   UNL     1      10.692   2.858   3.419  1.00  0.00           H  
HETATM   70  H   UNL     1      12.206   3.762   3.175  1.00  0.00           H  
HETATM   71  H   UNL     1      10.640   4.549   2.865  1.00  0.00           H  
HETATM   72  H   UNL     1       9.642   1.867   2.879  1.00  0.00           H  
HETATM   73  H   UNL     1      10.249   0.323   2.229  1.00  0.00           H  
HETATM   74  H   UNL     1       7.815   0.368   1.984  1.00  0.00           H  
HETATM   75  H   UNL     1       7.890   1.953   1.177  1.00  0.00           H  
HETATM   76  H   UNL     1       1.718  -1.033   1.715  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.505  -2.669   1.725  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.021  -1.022   1.372  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.771  -0.868   2.534  1.00  0.00           H  
HETATM   80  H   UNL     1       3.754  -1.347  -3.151  1.00  0.00           H  
CONECT    1   14   14   15   49                                       
CONECT    2   16   34   36   35                                       
CONECT    3   13   13   16   50                                       
CONECT    4    8    8   17   38                                       
CONECT    5   38   48   48   39                                       
CONECT    6   39   51   52   53                                       
CONECT    7    8   54   55   56                                       
CONECT    8    7    9    4    4                                       
CONECT    9   10   10    8   57                                       
CONECT   10    9    9   11   58                                       
CONECT   11   10   37   17   17                                       
CONECT   12   37   13   46   46                                       
CONECT   13   14   12    3    3                                       
CONECT   14    1    1   13   59                                       
CONECT   15    1   16   16   60                                       
CONECT   16   15   15    3    2                                       
CONECT   17   11   11    4   61                                       
CONECT   18   32   39   40   40                                       
CONECT   19   45   45   40   41                                       
CONECT   20   41   21   21   24                                       
CONECT   21   20   20   22   62                                       
CONECT   22   21   23   23   63                                       
CONECT   23   22   22   42   43                                       
CONECT   24   20   42   42   64                                       
CONECT   25   43   26   65   66                                       
CONECT   26   25   44   67   68                                       
CONECT   27   47   47   28   44                                       
CONECT   28   27   69   70   71                                       
CONECT   29   44   30   72   73                                       
CONECT   30   43   29   74   75                                       
CONECT   31   32   32   45   76                                       
CONECT   32   33   31   31   18                                       
CONECT   33   38   32   77   78                                       
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37   11   12   79                                            
CONECT   38    4   33    5                                            
CONECT   39    5   18    6                                            
CONECT   40   18   18   19                                            
CONECT   41   19   20   80                                            
CONECT   42   24   24   23                                            
CONECT   43   23   25   30                                            
CONECT   44   27   26   29                                            
CONECT   45   31   19   19                                            
CONECT   46   12   12                                                 
CONECT   47   27   27                                                 
CONECT   48    5    5                                                 
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   37                                                      
CONECT   80   41                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
