COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.982   3.546  -0.431  1.00  0.00           O1-
HETATM    2  O   UNL     1      -1.036   3.064  -0.001  1.00  0.00           O  
HETATM    3 BR   UNL     1       3.995  -0.934   0.011  1.00  0.00          Br  
HETATM    4  C   UNL     1       1.192  -1.374   0.263  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.137  -1.009   0.314  1.00  0.00           C  
HETATM    6  C   UNL     1       1.839   0.913  -0.060  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.233  -0.807   0.978  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.509  -1.278  -0.452  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.131   0.256   0.957  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.221  -0.819  -1.105  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.279  -1.834  -1.031  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.836   0.694   0.229  1.00  0.00           N  
HETATM   13  C   UNL     1       0.127   2.716  -0.156  1.00  0.00           C  
HETATM   14  C   UNL     1       2.178  -0.415   0.077  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.499   0.326   0.178  1.00  0.00           C  
HETATM   16  C   UNL     1       0.495   1.300  -0.011  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.877  -0.334   0.305  1.00  0.00           C  
HETATM   18  H   UNL     1       1.468  -2.412   0.374  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.897  -1.762   0.459  1.00  0.00           H  
HETATM   20  H   UNL     1       2.611   1.656  -0.204  1.00  0.00           H  
HETATM   21  H   UNL     1      -6.142  -0.380   1.402  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.911  -1.653   1.584  1.00  0.00           H  
HETATM   23  H   UNL     1      -6.283  -2.045  -0.439  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.844  -0.434  -1.054  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.468   1.119   0.383  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.901   0.563   1.977  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.333  -1.252  -1.567  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.567   0.023  -1.704  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.969  -2.642  -0.513  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.081   1.633   0.213  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.518  -1.173   0.901  1.00  0.00           H  
CONECT    1   13                                                      
CONECT    2   13   13                                                 
CONECT    3   14                                                      
CONECT    4    5    5   14   18                                       
CONECT    5    4    4   15   19                                       
CONECT    6   14   14   16   20                                       
CONECT    7    8    9   21   22                                       
CONECT    8    7   11   23   24                                       
CONECT    9    7   17   25   26                                       
CONECT   10   11   17   27   28                                       
CONECT   11    8   10   29                                            
CONECT   12   15   17   30                                            
CONECT   13    1    2    2   16                                       
CONECT   14    3    4    6    6                                       
CONECT   15    5   12   16   16                                       
CONECT   16    6   13   15   15                                       
CONECT   17    9   10   12   31                                       
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
