COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.908   4.164   1.062  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.295   3.929   0.040  1.00  0.00           C  
HETATM    3  OXT UNL     1      -2.565   4.622  -1.082  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.248   2.883   0.030  1.00  0.00           C  
HETATM    5  N   UNL     1       0.023   3.239   0.038  1.00  0.00           N  
HETATM    6  C   UNL     1       1.008   2.339   0.029  1.00  0.00           C  
HETATM    7  C   UNL     1       2.355   2.750   0.036  1.00  0.00           C  
HETATM    8  C   UNL     1       3.347   1.819   0.026  1.00  0.00           C  
HETATM    9  C   UNL     1       3.054   0.456   0.010  1.00  0.00           C  
HETATM   10  C   UNL     1       1.763   0.020   0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       0.715   0.951   0.012  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.636   0.535   0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.624   1.526   0.019  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.916   0.823   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.244   1.248   0.019  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.261   0.319   0.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.969  -1.037   0.001  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.661  -1.473  -0.004  1.00  0.00           C  
HETATM   19 BR   UNL     1      -3.282  -3.326  -0.020  1.00  0.00          Br  
HETATM   20  C   UNL     1      -2.619  -0.550   0.003  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.244  -0.694  -0.010  1.00  0.00           N  
HETATM   22  I   UNL     1       4.618  -0.938  -0.004  1.00  0.00           I  
HETATM   23  HXT UNL     1      -3.255   5.298  -1.026  1.00  0.00           H  
HETATM   24  H   UNL     1       2.599   3.802   0.048  1.00  0.00           H  
HETATM   25  H   UNL     1       4.378   2.141   0.031  1.00  0.00           H  
HETATM   26  H   UNL     1       1.548  -1.038  -0.011  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.475   2.303   0.029  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.289   0.647   0.017  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.773  -1.758  -0.004  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.776  -1.544  -0.020  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   23                                                 
CONECT    4    5    2   13   13                                       
CONECT    5    6    6    4                                            
CONECT    6    7    5    5   11                                       
CONECT    7    8    8    6   24                                       
CONECT    8    7    7    9   25                                       
CONECT    9    8   22   10   10                                       
CONECT   10    9    9   11   26                                       
CONECT   11    6   10   12   12                                       
CONECT   12   11   11   13   21                                       
CONECT   13    4    4   12   14                                       
CONECT   14   13   20   20   15                                       
CONECT   15   14   16   16   27                                       
CONECT   16   15   15   17   28                                       
CONECT   17   18   18   16   29                                       
CONECT   18   20   19   17   17                                       
CONECT   19   18                                                      
CONECT   20   21   14   14   18                                       
CONECT   21   12   20   30                                            
CONECT   22    9                                                      
CONECT   23    3                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
CONECT   30   21                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
