COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.544   0.928  -0.749  1.00  0.00           N  
HETATM    2  N   UNL     1       0.812  -2.656  -0.328  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.277  -0.425  -0.097  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.018  -2.468   0.102  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.819  -1.903  -0.308  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.619  -2.565  -0.053  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.337  -1.969  -0.485  1.00  0.00           C  
HETATM    8  C   UNL     1       2.126  -1.168  -1.703  1.00  0.00           C  
HETATM    9  C   UNL     1       5.774  -0.206  -1.576  1.00  0.00           C  
HETATM   10  C   UNL     1       7.634   2.522   0.237  1.00  0.00           C  
HETATM   11  C   UNL     1       5.268   3.029   0.285  1.00  0.00           C  
HETATM   12  C   UNL     1       5.594  -2.049   0.640  1.00  0.00           C  
HETATM   13  C   UNL     1       3.164  -2.340   0.121  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.632  -3.793   0.612  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.019  -3.691   0.763  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.232   1.614   0.218  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.771   1.681   0.667  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.761   2.069  -0.530  1.00  0.00           N  
HETATM   19  C   UNL     1      -8.233   3.455  -0.571  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.319  -0.860  -0.983  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.806  -0.139  -0.636  1.00  0.00           C  
HETATM   22  C   UNL     1       3.336  -0.572  -2.003  1.00  0.00           C  
HETATM   23  C   UNL     1       4.456  -0.858  -1.245  1.00  0.00           C  
HETATM   24  C   UNL     1       7.380   1.438  -0.813  1.00  0.00           C  
HETATM   25  C   UNL     1       6.874   4.674   1.047  1.00  0.00           C  
HETATM   26  C   UNL     1       5.014   1.946  -0.766  1.00  0.00           C  
HETATM   27  C   UNL     1       4.370  -1.741  -0.184  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.484   1.666  -0.269  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.829  -4.347   1.015  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.323  -4.303   1.206  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.986   2.358   0.523  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.637   2.421   0.951  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.487   0.259  -0.331  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.740   3.794   1.081  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.006   3.744   0.670  1.00  0.00           C  
HETATM   36  C   UNL     1       2.035  -2.051  -0.635  1.00  0.00           C  
HETATM   37  F   UNL     1       6.619  -2.499  -0.199  1.00  0.00           F  
HETATM   38  F   UNL     1       6.010  -0.892   1.307  1.00  0.00           F  
HETATM   39  F   UNL     1       5.287  -3.042   1.576  1.00  0.00           F  
HETATM   40  N   UNL     1      -5.224  -1.806  -0.146  1.00  0.00           N  
HETATM   41  N   UNL     1       6.029   0.891  -0.633  1.00  0.00           N  
HETATM   42  N   UNL     1       6.620   3.576   0.104  1.00  0.00           N  
HETATM   43  N   UNL     1      -4.190   0.286   0.171  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.900   4.406   0.940  1.00  0.00           N  
HETATM   45  N   UNL     1      -5.345   2.296   0.006  1.00  0.00           N  
HETATM   46  H   UNL     1       0.791  -3.569  -0.002  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.816  -0.953  -0.822  1.00  0.00           H  
HETATM   48  H   UNL     1       1.252  -0.944  -2.296  1.00  0.00           H  
HETATM   49  H   UNL     1       6.573  -0.944  -1.500  1.00  0.00           H  
HETATM   50  H   UNL     1       5.740   0.188  -2.591  1.00  0.00           H  
HETATM   51  H   UNL     1       7.574   2.083   1.234  1.00  0.00           H  
HETATM   52  H   UNL     1       8.625   2.949   0.088  1.00  0.00           H  
HETATM   53  H   UNL     1       4.534   3.827   0.169  1.00  0.00           H  
HETATM   54  H   UNL     1       5.181   2.597   1.281  1.00  0.00           H  
HETATM   55  H   UNL     1       3.098  -3.033   0.947  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.704  -4.309   0.811  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.721   0.607   0.563  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.568   3.755   0.421  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.420   4.106  -0.892  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.062   3.536  -1.275  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.147  -1.157  -0.754  1.00  0.00           H  
HETATM   62  H   UNL     1       3.406   0.118  -2.832  1.00  0.00           H  
HETATM   63  H   UNL     1       7.467   1.870  -1.810  1.00  0.00           H  
HETATM   64  H   UNL     1       8.114   0.640  -0.698  1.00  0.00           H  
HETATM   65  H   UNL     1       7.855   5.105   0.847  1.00  0.00           H  
HETATM   66  H   UNL     1       6.109   5.441   0.927  1.00  0.00           H  
HETATM   67  H   UNL     1       6.846   4.290   2.067  1.00  0.00           H  
HETATM   68  H   UNL     1       4.023   1.518  -0.616  1.00  0.00           H  
HETATM   69  H   UNL     1       5.074   2.384  -1.762  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.837  -5.297   1.529  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.715  -4.938   0.412  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.157  -4.902   2.102  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.040  -3.512   1.426  1.00  0.00           H  
HETATM   74  H   UNL     1       0.319   1.932   1.069  1.00  0.00           H  
HETATM   75  H   UNL     1       0.144   4.374   1.303  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.938   4.280   0.561  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.023  -2.315  -0.352  1.00  0.00           H  
CONECT    1   21   21   18                                            
CONECT    2    7   36   46                                            
CONECT    3   33   40   43   43                                       
CONECT    4   40   15   15    5                                       
CONECT    5    4    6    6   47                                       
CONECT    6    5    5   14    7                                       
CONECT    7    6   20   20    2                                       
CONECT    8   36   22   22   48                                       
CONECT    9   23   41   49   50                                       
CONECT   10   24   42   51   52                                       
CONECT   11   26   42   53   54                                       
CONECT   12   38   39   27   37                                       
CONECT   13   36   36   27   55                                       
CONECT   14   29   29    6   56                                       
CONECT   15   30    4    4   29                                       
CONECT   16   45   45   43   31                                       
CONECT   17   31   31   32   57                                       
CONECT   18    1   19   28                                            
CONECT   19   18   58   59   60                                       
CONECT   20    7    7                                                 
CONECT   21    1    1   33   61                                       
CONECT   22    8    8   23   62                                       
CONECT   23   27   27   22    9                                       
CONECT   24   41   10   63   64                                       
CONECT   25   42   65   66   67                                       
CONECT   26   41   11   68   69                                       
CONECT   27   13   12   23   23                                       
CONECT   28   18   33   33   45                                       
CONECT   29   15   14   14   70                                       
CONECT   30   15   71   72   73                                       
CONECT   31   16   17   17   35                                       
CONECT   32   17   34   34   74                                       
CONECT   33   21   28   28    3                                       
CONECT   34   32   32   44   75                                       
CONECT   35   31   44   44   76                                       
CONECT   36    2   13   13    8                                       
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40    3    4   77                                            
CONECT   41    9   24   26                                            
CONECT   42   10   11   25                                            
CONECT   43    3    3   16                                            
CONECT   44   35   35   34                                            
CONECT   45   28   16   16                                            
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
