COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.551   2.080   0.310  1.00  0.00           O  
HETATM    2  C   UNL     1       1.760   2.064   0.196  1.00  0.00           C  
HETATM    3  OXT UNL     1       2.446   3.222   0.140  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.480   0.771   0.126  1.00  0.00           C  
HETATM    5  N   UNL     1       3.835   0.743  -0.127  1.00  0.00           N  
HETATM    6  C   UNL     1       4.506  -0.419  -0.195  1.00  0.00           C  
HETATM    7  O   UNL     1       5.701  -0.400  -0.419  1.00  0.00           O  
HETATM    8  N   UNL     1       3.892  -1.602  -0.020  1.00  0.00           N  
HETATM    9  C   UNL     1       2.567  -1.654   0.231  1.00  0.00           C  
HETATM   10  O   UNL     1       2.008  -2.723   0.389  1.00  0.00           O  
HETATM   11  C   UNL     1       1.813  -0.397   0.315  1.00  0.00           C  
HETATM   12  C   UNL     1       0.332  -0.403   0.594  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.435  -0.517  -0.725  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.916  -0.523  -0.446  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.616   0.669  -0.409  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.976   0.664  -0.153  1.00  0.00           C  
HETATM   17  F   UNL     1      -4.661   1.827  -0.117  1.00  0.00           F  
HETATM   18  C   UNL     1      -4.635  -0.537   0.065  1.00  0.00           C  
HETATM   19  F   UNL     1      -5.963  -0.544   0.314  1.00  0.00           F  
HETATM   20  C   UNL     1      -3.931  -1.728   0.026  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.574  -1.720  -0.234  1.00  0.00           C  
HETATM   22  HXT UNL     1       1.933   4.039   0.194  1.00  0.00           H  
HETATM   23  H   UNL     1       4.404  -2.424  -0.076  1.00  0.00           H  
HETATM   24  H   UNL     1       0.086  -1.252   1.232  1.00  0.00           H  
HETATM   25  H   UNL     1       0.053   0.522   1.098  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.189   0.332  -1.363  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.156  -1.442  -1.229  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.102   1.603  -0.578  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.443  -2.663   0.196  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.026  -2.650  -0.268  1.00  0.00           H  
HETATM   31  H   UNL     1       4.313   1.577  -0.259  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   22                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   31                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   23                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   24   25                                       
CONECT   13   14   12   26   27                                       
CONECT   14   21   21   13   15                                       
CONECT   15   14   16   16   28                                       
CONECT   16   15   15   18   17                                       
CONECT   17   16                                                      
CONECT   18   20   20   16   19                                       
CONECT   19   18                                                      
CONECT   20   21   18   18   29                                       
CONECT   21   14   14   20   30                                       
CONECT   22    3                                                      
CONECT   23    8                                                      
CONECT   24   12                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28   15                                                      
CONECT   29   20                                                      
CONECT   30   21                                                      
CONECT   31    5                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
