COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.541  -0.338   0.290  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.729  -0.831   0.817  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.541   0.468  -0.187  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.351   0.095   0.841  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.140   1.002  -0.034  1.00  0.00           C  
HETATM    6  C   UNL     1       0.176   0.153  -0.078  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.181  -0.096  -0.181  1.00  0.00           N  
HETATM    8  C   UNL     1       1.924   1.630   0.254  1.00  0.00           C  
HETATM    9  C   UNL     1       2.475  -0.576  -0.114  1.00  0.00           C  
HETATM   10  C   UNL     1       1.110  -0.887  -0.222  1.00  0.00           C  
HETATM   11  C   UNL     1       2.214  -2.735  -0.501  1.00  0.00           C  
HETATM   12  N   UNL     1       0.625   1.382   0.154  1.00  0.00           N  
HETATM   13  C   UNL     1       3.273   3.386  -0.545  1.00  0.00           C  
HETATM   14  C   UNL     1       3.753   4.800  -0.208  1.00  0.00           C  
HETATM   15  C   UNL     1       1.692   5.249   0.928  1.00  0.00           C  
HETATM   16  N   UNL     1       2.836   0.680   0.130  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.759  -1.185  -0.033  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.613  -1.051  -1.408  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.452  -0.569  -1.941  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.399  -0.197  -1.100  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.154   0.299  -1.322  1.00  0.00           N  
HETATM   22  N   UNL     1       3.149  -1.760  -0.292  1.00  0.00           N  
HETATM   23  N   UNL     1       1.020  -2.220  -0.458  1.00  0.00           N  
HETATM   24  N   UNL     1       2.341   2.929   0.496  1.00  0.00           N  
HETATM   25  O   UNL     1       2.621   5.664  -0.078  1.00  0.00           O  
HETATM   26  C   UNL     1       1.191   3.839   0.602  1.00  0.00           C  
HETATM   27  C   UNL     1       4.540  -1.936  -0.267  1.00  0.00           C  
HETATM   28  F   UNL     1      -6.875  -0.964   2.154  1.00  0.00           F  
HETATM   29  F   UNL     1      -8.915  -1.665   0.476  1.00  0.00           F  
HETATM   30  C   UNL     1       5.359  -1.106  -1.021  1.00  0.00           C  
HETATM   31  C   UNL     1       6.729  -1.280  -0.996  1.00  0.00           C  
HETATM   32  C   UNL     1       7.286  -2.281  -0.221  1.00  0.00           C  
HETATM   33  C   UNL     1       6.473  -3.111   0.532  1.00  0.00           C  
HETATM   34  C   UNL     1       5.100  -2.936   0.515  1.00  0.00           C  
HETATM   35  F   UNL     1       7.019  -4.088   1.288  1.00  0.00           F  
HETATM   36  H   UNL     1      -4.132   0.126   1.785  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.952   1.754  -0.800  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.029   1.452   0.953  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.497  -0.997  -0.350  1.00  0.00           H  
HETATM   40  H   UNL     1       2.434  -3.778  -0.674  1.00  0.00           H  
HETATM   41  H   UNL     1       2.766   3.394  -1.510  1.00  0.00           H  
HETATM   42  H   UNL     1       4.129   2.712  -0.590  1.00  0.00           H  
HETATM   43  H   UNL     1       4.307   4.782   0.731  1.00  0.00           H  
HETATM   44  H   UNL     1       4.400   5.165  -1.005  1.00  0.00           H  
HETATM   45  H   UNL     1       2.186   5.244   1.899  1.00  0.00           H  
HETATM   46  H   UNL     1       0.849   5.939   0.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.426  -1.332  -2.062  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.349  -0.469  -3.012  1.00  0.00           H  
HETATM   49  H   UNL     1       0.527   3.497   1.395  1.00  0.00           H  
HETATM   50  H   UNL     1       0.651   3.855  -0.345  1.00  0.00           H  
HETATM   51  H   UNL     1       4.925  -0.325  -1.628  1.00  0.00           H  
HETATM   52  H   UNL     1       7.366  -0.635  -1.582  1.00  0.00           H  
HETATM   53  H   UNL     1       8.358  -2.415  -0.203  1.00  0.00           H  
HETATM   54  H   UNL     1       4.466  -3.580   1.106  1.00  0.00           H  
CONECT    1    4   20   20    2                                       
CONECT    2    1   28   17   17                                       
CONECT    3    5   21   21    4                                       
CONECT    4    3    1   36                                            
CONECT    5    7    3   37   38                                       
CONECT    6   10    7   12   12                                       
CONECT    7    6    5   39                                            
CONECT    8   16   16   12   24                                       
CONECT    9   22   10   10   16                                       
CONECT   10   23    9    9    6                                       
CONECT   11   23   23   22   40                                       
CONECT   12    6    6    8                                            
CONECT   13   24   14   41   42                                       
CONECT   14   13   25   43   44                                       
CONECT   15   26   25   45   46                                       
CONECT   16    9    8    8                                            
CONECT   17    2    2   18   29                                       
CONECT   18   19   19   17   47                                       
CONECT   19   20   18   18   48                                       
CONECT   20   21    1    1   19                                       
CONECT   21    3    3   20                                            
CONECT   22   11   27    9                                            
CONECT   23   11   11   10                                            
CONECT   24    8   26   13                                            
CONECT   25   15   14                                                 
CONECT   26   24   15   49   50                                       
CONECT   27   30   22   34   34                                       
CONECT   28    2                                                      
CONECT   29   17                                                      
CONECT   30   31   31   27   51                                       
CONECT   31   30   30   32   52                                       
CONECT   32   31   33   33   53                                       
CONECT   33   32   32   34   35                                       
CONECT   34   27   27   33   54                                       
CONECT   35   33                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
