COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.491  -1.399  -0.200  1.00  0.00           C  
HETATM    2  C   UNL     1       1.126  -1.122  -0.082  1.00  0.00           C  
HETATM    3  N   UNL     1       0.474  -2.328  -0.108  1.00  0.00           N  
HETATM    4  N   UNL     1       1.436  -3.334  -0.242  1.00  0.00           N  
HETATM    5  C   UNL     1       2.627  -2.786  -0.301  1.00  0.00           C  
HETATM    6  N   UNL     1       0.441   0.021   0.041  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.871   0.019   0.139  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.578  -1.184   0.117  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.893  -2.363  -0.008  1.00  0.00           C  
HETATM   10 BR   UNL     1      -3.464  -1.186   0.259  1.00  0.00          Br  
HETATM   11  N   UNL     1      -1.567  -3.565  -0.033  1.00  0.00           N  
HETATM   12  C   UNL     1       3.592  -0.403  -0.221  1.00  0.00           C  
HETATM   13  C   UNL     1       3.658   0.748  -1.030  1.00  0.00           C  
HETATM   14  N   UNL     1       4.776   1.371  -0.763  1.00  0.00           N  
HETATM   15  N   UNL     1       5.464   0.648   0.219  1.00  0.00           N  
HETATM   16  C   UNL     1       4.721  -0.434   0.543  1.00  0.00           C  
HETATM   17  C   UNL     1       6.761   1.005   0.798  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.614   1.323   0.275  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.611   2.471   0.398  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.366   3.795   0.537  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.243   4.014  -0.698  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.246   2.865  -0.820  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.492   1.541  -0.959  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.403   4.898   0.654  1.00  0.00           N  
HETATM   25  H   UNL     1       3.560  -3.320  -0.405  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.074  -4.396  -0.121  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.534  -3.581   0.038  1.00  0.00           H  
HETATM   28  H   UNL     1       2.913   1.062  -1.746  1.00  0.00           H  
HETATM   29  H   UNL     1       4.977  -1.188   1.273  1.00  0.00           H  
HETATM   30  H   UNL     1       6.607   1.635   1.674  1.00  0.00           H  
HETATM   31  H   UNL     1       7.290   0.098   1.091  1.00  0.00           H  
HETATM   32  H   UNL     1       7.352   1.548   0.060  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.242   1.292   1.166  1.00  0.00           H  
HETATM   34  H   UNL     1       0.014   2.316   1.277  1.00  0.00           H  
HETATM   35  H   UNL     1       0.016   2.503  -0.493  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.993   3.764   1.428  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.781   4.957  -0.599  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.616   4.045  -1.588  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.874   2.834   0.071  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.872   3.021  -1.699  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.864   1.572  -1.850  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.206   0.723  -1.046  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.877   5.784   0.747  1.00  0.00           H  
HETATM   44  H   UNL     1       0.231   4.744   1.425  1.00  0.00           H  
CONECT    1    5    2    2   12                                       
CONECT    2    1    1    3    6                                       
CONECT    3    2    4    9                                            
CONECT    4    3    5    5                                            
CONECT    5    1    4    4   25                                       
CONECT    6    2    7    7                                            
CONECT    7    6    6    8   18                                       
CONECT    8    7    9    9   10                                       
CONECT    9    3    8    8   11                                       
CONECT   10    8                                                      
CONECT   11    9   26   27                                            
CONECT   12    1   13   16   16                                       
CONECT   13   12   14   14   28                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   17                                            
CONECT   16   12   12   15   29                                       
CONECT   17   15   30   31   32                                       
CONECT   18    7   23   19   33                                       
CONECT   19   18   20   34   35                                       
CONECT   20   19   21   24   36                                       
CONECT   21   20   22   37   38                                       
CONECT   22   21   23   39   40                                       
CONECT   23   18   22   41   42                                       
CONECT   24   20   43   44                                            
CONECT   25    5                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
