COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -3.932   3.116  -0.280  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.145   2.023  -0.284  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.942   2.141  -0.393  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.749   0.675  -0.155  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.098   0.538   0.092  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.663  -0.674   0.212  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.857  -0.752   0.431  1.00  0.00           O  
HETATM    8  N   UNL     1      -4.945  -1.805   0.097  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.619  -1.750  -0.146  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.966  -2.771  -0.252  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.978  -0.436  -0.286  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.500  -0.323  -0.558  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.738  -0.306   0.769  1.00  0.00           C  
HETATM   14  C   UNL     1       0.740  -0.192   0.498  1.00  0.00           C  
HETATM   15  C   UNL     1       1.502  -1.334   0.334  1.00  0.00           C  
HETATM   16  C   UNL     1       2.857  -1.230   0.080  1.00  0.00           C  
HETATM   17  C   UNL     1       3.688  -2.475  -0.098  1.00  0.00           C  
HETATM   18  F   UNL     1       5.018  -2.117  -0.344  1.00  0.00           F  
HETATM   19  F   UNL     1       3.621  -3.251   1.064  1.00  0.00           F  
HETATM   20  F   UNL     1       3.196  -3.213  -1.181  1.00  0.00           F  
HETATM   21  C   UNL     1       3.450   0.015  -0.011  1.00  0.00           C  
HETATM   22  C   UNL     1       2.688   1.157   0.152  1.00  0.00           C  
HETATM   23  C   UNL     1       3.334   2.515   0.053  1.00  0.00           C  
HETATM   24  F   UNL     1       2.738   3.240  -0.985  1.00  0.00           F  
HETATM   25  F   UNL     1       3.163   3.202   1.260  1.00  0.00           F  
HETATM   26  F   UNL     1       4.700   2.363  -0.208  1.00  0.00           F  
HETATM   27  C   UNL     1       1.333   1.053   0.406  1.00  0.00           C  
HETATM   28  HXT UNL     1      -3.492   3.974  -0.366  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.649   1.332   0.182  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.382  -2.666   0.189  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.174  -1.176  -1.153  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.301   0.599  -1.103  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.064   0.547   1.365  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.938  -1.228   1.315  1.00  0.00           H  
HETATM   35  H   UNL     1       1.039  -2.307   0.405  1.00  0.00           H  
HETATM   36  H   UNL     1       4.508   0.096  -0.210  1.00  0.00           H  
HETATM   37  H   UNL     1       0.737   1.945   0.530  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   29                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   30                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   31   32                                       
CONECT   13   14   12   33   34                                       
CONECT   14   15   15   27   13                                       
CONECT   15   16   14   14   35                                       
CONECT   16   17   21   21   15                                       
CONECT   17   20   19   16   18                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   16   16   22   36                                       
CONECT   22   21   23   27   27                                       
CONECT   23   24   22   26   25                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   22   22   14   37                                       
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   21                                                      
CONECT   37   27                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
