COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.225   4.454   0.342  1.00  0.00           C  
HETATM    2  C   UNL     1       4.078   3.242   0.067  1.00  0.00           C  
HETATM    3  O   UNL     1       5.263   3.374  -0.165  1.00  0.00           O  
HETATM    4  C   UNL     1       3.502   1.960   0.079  1.00  0.00           C  
HETATM    5  C   UNL     1       2.168   1.676   0.322  1.00  0.00           C  
HETATM    6  N   UNL     1       4.174   0.768  -0.158  1.00  0.00           N  
HETATM    7  C   UNL     1       5.482   0.521  -0.445  1.00  0.00           C  
HETATM    8  C   UNL     1       5.925  -0.740  -0.640  1.00  0.00           C  
HETATM    9  C   UNL     1       5.033  -1.823  -0.548  1.00  0.00           C  
HETATM   10  O   UNL     1       5.470  -3.092  -0.742  1.00  0.00           O  
HETATM   11  C   UNL     1       4.501  -4.136  -0.631  1.00  0.00           C  
HETATM   12  C   UNL     1       3.703  -1.577  -0.256  1.00  0.00           C  
HETATM   13  C   UNL     1       3.281  -0.260  -0.061  1.00  0.00           C  
HETATM   14  C   UNL     1       2.010   0.289   0.241  1.00  0.00           C  
HETATM   15  C   UNL     1       0.763  -0.458   0.430  1.00  0.00           C  
HETATM   16  O   UNL     1       0.759  -1.671   0.333  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.380   0.200   0.711  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.587  -0.502   0.799  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.768   0.090   0.371  1.00  0.00           C  
HETATM   20  F   UNL     1      -2.755   1.347  -0.125  1.00  0.00           F  
HETATM   21  C   UNL     1      -1.605  -1.795   1.309  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.795  -2.491   1.396  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.975  -1.907   0.978  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.967  -0.616   0.456  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.234   0.014   0.006  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.158  -0.543  -0.830  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.704   1.291   0.369  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.851   1.486  -0.227  1.00  0.00           N  
HETATM   29  N   UNL     1      -7.157   0.349  -0.985  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.356   0.162  -1.806  1.00  0.00           C  
HETATM   31  H   UNL     1       2.814   4.829  -0.595  1.00  0.00           H  
HETATM   32  H   UNL     1       2.410   4.180   1.013  1.00  0.00           H  
HETATM   33  H   UNL     1       3.834   5.229   0.808  1.00  0.00           H  
HETATM   34  H   UNL     1       1.392   2.395   0.537  1.00  0.00           H  
HETATM   35  H   UNL     1       6.176   1.345  -0.519  1.00  0.00           H  
HETATM   36  H   UNL     1       6.966  -0.917  -0.868  1.00  0.00           H  
HETATM   37  H   UNL     1       3.714  -3.981  -1.369  1.00  0.00           H  
HETATM   38  H   UNL     1       4.982  -5.098  -0.808  1.00  0.00           H  
HETATM   39  H   UNL     1       4.068  -4.125   0.370  1.00  0.00           H  
HETATM   40  H   UNL     1       3.000  -2.393  -0.181  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.365   1.159   0.853  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.685  -2.257   1.637  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.803  -3.496   1.793  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.903  -2.455   1.048  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.100  -1.521  -1.285  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.204   1.987   1.026  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.164   0.523  -2.817  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.611  -0.897  -1.841  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.185   0.721  -1.372  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4   14   34                                       
CONECT    6    4   13    7                                            
CONECT    7    6    8    8   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9   12   12    8   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   37   38   39                                       
CONECT   12   13    9    9   40                                       
CONECT   13   14   14    6   12                                       
CONECT   14    5   15   13   13                                       
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   41                                            
CONECT   18   19   19   21   17                                       
CONECT   19   24   20   18   18                                       
CONECT   20   19                                                      
CONECT   21   22   22   18   42                                       
CONECT   22   23   21   21   43                                       
CONECT   23   24   24   22   44                                       
CONECT   24   25   23   23   19                                       
CONECT   25   27   26   26   24                                       
CONECT   26   29   25   25   45                                       
CONECT   27   28   28   25   46                                       
CONECT   28   29   27   27                                            
CONECT   29   30   28   26                                            
CONECT   30   29   47   48   49                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
