COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.766  -0.043   1.453  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.769  -1.782   0.027  1.00  0.00           N  
HETATM    3  O   UNL     1       1.043  -1.462   0.627  1.00  0.00           O  
HETATM    4 BR   UNL     1       6.406   1.167  -0.106  1.00  0.00          Br  
HETATM    5  C   UNL     1       3.997   0.559   1.283  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.296  -0.537  -0.382  1.00  0.00           N  
HETATM    7  C   UNL     1       4.721   0.341   0.124  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.098   1.690  -0.811  1.00  0.00           N  
HETATM    9  C   UNL     1       4.213  -0.481  -0.866  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.246   2.424  -0.488  1.00  0.00           N  
HETATM   11  C   UNL     1       2.982  -1.086  -0.700  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.421   0.440   0.363  1.00  0.00           N  
HETATM   13  C   UNL     1       2.255  -0.868   0.461  1.00  0.00           C  
HETATM   14  N   UNL     1      -8.273   2.007   0.738  1.00  0.00           N  
HETATM   15  C   UNL     1       0.580  -2.298  -0.436  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.790  -2.873  -0.071  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.164  -1.307  -1.306  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.120  -0.121  -1.159  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.901  -1.013   0.951  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.944  -2.198   0.804  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.222   0.494  -0.289  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.033   1.653   0.221  1.00  0.00           C  
HETATM   23  H   UNL     1       2.203   0.124   2.359  1.00  0.00           H  
HETATM   24  H   UNL     1       4.395   1.201   2.055  1.00  0.00           H  
HETATM   25  H   UNL     1       4.779  -0.649  -1.770  1.00  0.00           H  
HETATM   26  H   UNL     1       2.586  -1.727  -1.473  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.776  -0.325   0.841  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.627   2.897   0.584  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.785   1.364   1.254  1.00  0.00           H  
HETATM   30  H   UNL     1       0.496  -1.710  -1.350  1.00  0.00           H  
HETATM   31  H   UNL     1       1.287  -3.113  -0.591  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.724  -3.390   0.886  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.105  -3.576  -0.842  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.277  -0.993  -1.857  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.662  -2.112  -1.846  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.437   0.215  -2.147  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.613   0.694  -0.643  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.403  -0.208   1.491  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.788  -1.327   1.503  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.452  -3.013   0.288  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.628  -2.534   1.792  1.00  0.00           H  
CONECT    1    5    5   13   23                                       
CONECT    2   16   17   20                                            
CONECT    3   13   15                                                 
CONECT    4    7                                                      
CONECT    5    1    1    7   24                                       
CONECT    6   18   19   21                                            
CONECT    7    4    5    9    9                                       
CONECT    8   10   21   21                                            
CONECT    9    7    7   11   25                                       
CONECT   10    8   22   22                                            
CONECT   11    9   13   13   26                                       
CONECT   12   21   22   27                                            
CONECT   13    1    3   11   11                                       
CONECT   14   22   28   29                                            
CONECT   15    3   16   30   31                                       
CONECT   16    2   15   32   33                                       
CONECT   17    2   18   34   35                                       
CONECT   18    6   17   36   37                                       
CONECT   19    6   20   38   39                                       
CONECT   20    2   19   40   41                                       
CONECT   21    6    8    8   12                                       
CONECT   22   10   10   12   14                                       
CONECT   23    1                                                      
CONECT   24    5                                                      
CONECT   25    9                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
