COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.604  -1.347   1.108  1.00  0.00           N  
HETATM    2  CA  UNL     1       3.403  -1.397   0.265  1.00  0.00           C  
HETATM    3  C   UNL     1       3.601  -0.501  -0.959  1.00  0.00           C  
HETATM    4  C   UNL     1       3.718   0.935  -0.517  1.00  0.00           C  
HETATM    5  C   UNL     1       4.838   1.560  -0.108  1.00  0.00           C  
HETATM    6  N   UNL     1       2.707   1.856  -0.459  1.00  0.00           N  
HETATM    7  C   UNL     1       3.244   3.011  -0.011  1.00  0.00           C  
HETATM    8  N   UNL     1       4.519   2.827   0.197  1.00  0.00           N  
HETATM    9  C   UNL     1       1.304   1.630  -0.817  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.860   0.729   0.258  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.544   0.961  -0.940  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.885   0.655  -1.034  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.543   0.188   1.352  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.885  -0.108   1.245  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.555   0.119   0.054  1.00  0.00           C  
HETATM   16 BR   UNL     1      -5.394  -0.297  -0.086  1.00  0.00          Br  
HETATM   17  C   UNL     1       0.572   1.048   0.364  1.00  0.00           C  
HETATM   18  O   UNL     1       1.164   0.841   1.402  1.00  0.00           O  
HETATM   19  C   UNL     1       3.163  -2.816  -0.185  1.00  0.00           C  
HETATM   20  O   UNL     1       4.067  -3.618  -0.160  1.00  0.00           O  
HETATM   21  OXT UNL     1       1.947  -3.188  -0.613  1.00  0.00           O  
HETATM   22  H1  UNL     1       4.474  -1.880   1.955  1.00  0.00           H  
HETATM   23  H2  UNL     1       5.416  -1.667   0.601  1.00  0.00           H  
HETATM   24  HA  UNL     1       2.543  -1.047   0.836  1.00  0.00           H  
HETATM   25  H   UNL     1       4.511  -0.795  -1.482  1.00  0.00           H  
HETATM   26  H   UNL     1       2.748  -0.606  -1.629  1.00  0.00           H  
HETATM   27  H   UNL     1       5.822   1.119  -0.037  1.00  0.00           H  
HETATM   28  H   UNL     1       2.708   3.935   0.146  1.00  0.00           H  
HETATM   29  H   UNL     1       0.844   2.578  -1.098  1.00  0.00           H  
HETATM   30  H   UNL     1       1.250   0.937  -1.656  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.024   1.379  -1.789  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.415   0.834  -1.958  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.020   0.002   2.278  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.414  -0.525   2.089  1.00  0.00           H  
HETATM   35  HXT UNL     1       1.842  -4.108  -0.891  1.00  0.00           H  
CONECT    1    2   22   23                                            
CONECT    2    1    3   19   24                                       
CONECT    3    2    4   25   26                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4    8   27                                       
CONECT    6    4    7    9                                            
CONECT    7    6    8    8   28                                       
CONECT    8    5    7    7                                            
CONECT    9    6   17   29   30                                       
CONECT   10   11   11   13   17                                       
CONECT   11   10   10   12   31                                       
CONECT   12   11   15   15   32                                       
CONECT   13   10   14   14   33                                       
CONECT   14   13   13   15   34                                       
CONECT   15   12   12   14   16                                       
CONECT   16   15                                                      
CONECT   17    9   10   18   18                                       
CONECT   18   17   17                                                 
CONECT   19    2   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   35                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   21                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
