COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.525  -1.055   1.279  1.00  0.00           C  
HETATM    2  C   UNL     1       2.119  -1.201   0.880  1.00  0.00           C  
HETATM    3  C   UNL     1       1.584  -0.379  -0.121  1.00  0.00           C  
HETATM    4  C   UNL     1       0.265  -0.520  -0.491  1.00  0.00           C  
HETATM    5  C   UNL     1       1.311  -2.164   1.496  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.006  -2.297   1.119  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.535  -1.475   0.128  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.829  -0.637  -0.233  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.629   0.764   0.193  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.527   1.754  -0.207  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.335   3.060   0.195  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.253   3.389   0.993  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.358   2.412   1.392  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.543   1.102   1.002  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.767  -2.450  -0.954  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.477  -2.757  -0.710  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.872  -1.614  -0.250  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.959  -1.159  -0.656  1.00  0.00           N  
HETATM   19 BR   UNL     1       2.670   0.920  -0.962  1.00  0.00          Br  
HETATM   20  H   UNL     1       3.936  -1.689   2.051  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.149   0.112  -1.263  1.00  0.00           H  
HETATM   22  H   UNL     1       1.720  -2.802   2.265  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.630  -3.040   1.593  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.372   1.498  -0.830  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.030   3.827  -0.114  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.107   4.412   1.304  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.516   2.676   2.014  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.846   0.340   1.319  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.518  -3.131  -1.324  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.008  -3.719  -0.850  1.00  0.00           H  
HETATM   31  O   UNL     1       4.226  -0.227   0.737  1.00  0.00           O  
CONECT    1    2   20   31   31                                       
CONECT    2    1    5    5    3                                       
CONECT    3    2   19    4    4                                       
CONECT    4    3    3    7   21                                       
CONECT    5    2    2    6   22                                       
CONECT    6    5    7    7   23                                       
CONECT    7    6    6    4   17                                       
CONECT    8   17    9   18   18                                       
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   24                                       
CONECT   11   10   10   12   25                                       
CONECT   12   11   13   13   26                                       
CONECT   13   12   12   14   27                                       
CONECT   14    9    9   13   28                                       
CONECT   15   16   16   18   29                                       
CONECT   16   17   15   15   30                                       
CONECT   17    7   16    8                                            
CONECT   18    8    8   15                                            
CONECT   19    3                                                      
CONECT   20    1                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31    1    1                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
