COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.572   1.042  -0.182  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.296   0.275   1.327  1.00  0.00           N  
HETATM    3  C   UNL     1       4.457  -2.247  -0.288  1.00  0.00           C  
HETATM    4  C   UNL     1       3.091  -2.401  -0.100  1.00  0.00           C  
HETATM    5  C   UNL     1       2.284  -1.288   0.053  1.00  0.00           C  
HETATM    6  C   UNL     1       2.842  -0.018   0.018  1.00  0.00           C  
HETATM    7  C   UNL     1       0.735   0.880   0.449  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.238   1.242  -0.472  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.942   0.479   1.033  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.186   0.112   0.329  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.659   0.027   0.638  1.00  0.00           C  
HETATM   12  CA  UNL     1      -6.443  -0.157  -0.662  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.902  -0.364  -0.344  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.968   0.116   1.954  1.00  0.00           C  
HETATM   15  C   UNL     1       0.367   0.317   1.662  1.00  0.00           C  
HETATM   16  C   UNL     1       4.208   0.134  -0.170  1.00  0.00           C  
HETATM   17  C   UNL     1       5.014  -0.980  -0.317  1.00  0.00           C  
HETATM   18  F   UNL     1       5.245  -3.334  -0.437  1.00  0.00           F  
HETATM   19  F   UNL     1       2.549  -3.638  -0.067  1.00  0.00           F  
HETATM   20  N   UNL     1      -6.290   1.040  -1.500  1.00  0.00           N  
HETATM   21  O   UNL     1       2.049   1.077   0.162  1.00  0.00           O  
HETATM   22  OXT UNL     1      -8.337  -1.571   0.050  1.00  0.00           O  
HETATM   23  O   UNL     1      -8.679   0.555  -0.444  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.802   0.032  -0.819  1.00  0.00           O  
HETATM   25 BR   UNL     1       4.970   1.864  -0.219  1.00  0.00          Br  
HETATM   26  H   UNL     1      -2.330   1.328  -0.897  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.593   0.252   2.251  1.00  0.00           H  
HETATM   28  H   UNL     1       1.221  -1.407   0.198  1.00  0.00           H  
HETATM   29  H   UNL     1       0.050   1.680  -1.417  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.843  -0.822   1.297  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.980   0.945   1.130  1.00  0.00           H  
HETATM   32  HA  UNL     1      -6.061  -1.026  -1.198  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.255  -0.322   2.898  1.00  0.00           H  
HETATM   34  H   UNL     1       1.124   0.035   2.379  1.00  0.00           H  
HETATM   35  H   UNL     1       6.077  -0.862  -0.463  1.00  0.00           H  
HETATM   36  H1  UNL     1      -6.746   0.918  -2.392  1.00  0.00           H  
HETATM   37  H2  UNL     1      -6.638   1.860  -1.026  1.00  0.00           H  
HETATM   38  HXT UNL     1      -9.281  -1.656   0.243  1.00  0.00           H  
CONECT    1    9    9    8   26                                       
CONECT    2   10    9   27                                            
CONECT    3   17   17    4   18                                       
CONECT    4    5    5    3   19                                       
CONECT    5    6    4    4   28                                       
CONECT    6   21   16   16    5                                       
CONECT    7    8    8   15   21                                       
CONECT    8    1    7    7   29                                       
CONECT    9    2    1    1   14                                       
CONECT   10   11   24   24    2                                       
CONECT   11   12   10   30   31                                       
CONECT   12   13   20   11   32                                       
CONECT   13   23   23   22   12                                       
CONECT   14    9   15   15   33                                       
CONECT   15   14   14    7   34                                       
CONECT   16   25    6    6   17                                       
CONECT   17   16    3    3   35                                       
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20   12   36   37                                            
CONECT   21    7    6                                                 
CONECT   22   13   38                                                 
CONECT   23   13   13                                                 
CONECT   24   10   10                                                 
CONECT   25   16                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
