COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.727  -1.576  -0.854  1.00  0.00           O  
HETATM    2  C   UNL     1       6.745  -0.620  -0.109  1.00  0.00           C  
HETATM    3  C   UNL     1       8.061  -0.025   0.322  1.00  0.00           C  
HETATM    4  N   UNL     1       5.588  -0.085   0.329  1.00  0.00           N  
HETATM    5  C   UNL     1       4.309  -0.659  -0.095  1.00  0.00           C  
HETATM    6  C   UNL     1       3.161   0.128   0.540  1.00  0.00           C  
HETATM    7  O   UNL     1       3.020   1.424  -0.077  1.00  0.00           O  
HETATM    8  C   UNL     1       1.796  -0.525   0.216  1.00  0.00           C  
HETATM    9  C   UNL     1       0.894   0.678   0.015  1.00  0.00           C  
HETATM   10  N   UNL     1       1.640   1.722  -0.136  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.581   0.660  -0.004  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.293   1.846  -0.198  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.268  -0.545   0.167  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.647  -0.559   0.149  1.00  0.00           C  
HETATM   15  F   UNL     1      -3.313  -1.722   0.314  1.00  0.00           F  
HETATM   16  C   UNL     1      -3.353   0.627  -0.040  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.671   1.826  -0.216  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.748   0.610  -0.059  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.285  -0.094   1.125  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.252  -0.058  -1.272  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.163  -1.215  -0.811  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.577  -0.785   0.621  1.00  0.00           C  
HETATM   23  H   UNL     1       8.358   0.750  -0.384  1.00  0.00           H  
HETATM   24  H   UNL     1       7.954   0.410   1.316  1.00  0.00           H  
HETATM   25  H   UNL     1       8.821  -0.805   0.347  1.00  0.00           H  
HETATM   26  H   UNL     1       5.602   0.680   0.925  1.00  0.00           H  
HETATM   27  H   UNL     1       4.229  -0.606  -1.181  1.00  0.00           H  
HETATM   28  H   UNL     1       4.254  -1.701   0.223  1.00  0.00           H  
HETATM   29  H   UNL     1       3.303   0.221   1.617  1.00  0.00           H  
HETATM   30  H   UNL     1       1.857  -1.118  -0.697  1.00  0.00           H  
HETATM   31  H   UNL     1       1.449  -1.133   1.051  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.765   2.777  -0.334  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.720  -1.464   0.313  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.221   2.742  -0.366  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.571  -0.836   1.482  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.520   0.619   1.916  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.825   0.647  -1.874  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.418  -0.450  -1.854  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.038  -1.298  -1.456  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.611  -2.155  -0.787  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.820  -1.653   1.235  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.410  -0.083   0.593  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   23   24   25                                       
CONECT    4    5    2   26                                            
CONECT    5    6    4   27   28                                       
CONECT    6    7    8    5   29                                       
CONECT    7    6   10                                                 
CONECT    8    6    9   30   31                                       
CONECT    9    8   10   10   11                                       
CONECT   10    7    9    9                                            
CONECT   11    9   13   13   12                                       
CONECT   12   11   17   17   32                                       
CONECT   13   11   11   14   33                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14                                                      
CONECT   16   14   14   18   17                                       
CONECT   17   12   12   16   34                                       
CONECT   18   16   20   19                                            
CONECT   19   18   22   35   36                                       
CONECT   20   21   18   37   38                                       
CONECT   21   20   22   39   40                                       
CONECT   22   21   19   41   42                                       
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
