COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.157   2.629  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.361   1.256  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.671   0.748  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.527  -0.978   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.844  -0.716  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       3.228   1.632  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       0.872  -3.078   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       5.343   0.293   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.900   0.987  -1.246  1.00  0.00           C  
HETATM   10  C   UNL     1       5.899   0.981   1.249  1.00  0.00           C  
HETATM   11  C   UNL     1       0.209  -3.697   1.243  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.758   1.620  -0.004  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.535   2.982  -0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.242   3.482  -0.004  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.301   0.363  -0.001  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.751  -1.485  -0.001  1.00  0.00           N  
HETATM   17  C   UNL     1       1.076   0.579   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.691  -0.673   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.680  -1.625   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.958  -1.213  -0.002  1.00  0.00           O  
HETATM   21 BR   UNL     1      -5.523   0.943  -0.006  1.00  0.00          Br  
HETATM   22  C   UNL     1       1.851   1.731  -0.001  1.00  0.00           C  
HETATM   23  C   UNL     1       3.839   0.389  -0.001  1.00  0.00           C  
HETATM   24  C   UNL     1       3.076  -0.762   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       7.429   0.939  -1.210  1.00  0.00           C  
HETATM   26  N   UNL     1       7.912   1.610   0.004  1.00  0.00           N  
HETATM   27  C   UNL     1       7.428   0.933   1.214  1.00  0.00           C  
HETATM   28  C   UNL     1       0.178  -3.703  -1.227  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.865  -4.677   0.728  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.391  -5.044  -0.701  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.153   3.027   0.003  1.00  0.00           H  
HETATM   32  H   UNL     1       3.831   2.528  -0.002  1.00  0.00           H  
HETATM   33  H   UNL     1       1.936  -3.314  -0.012  1.00  0.00           H  
HETATM   34  H   UNL     1       5.641  -0.755  -0.003  1.00  0.00           H  
HETATM   35  H   UNL     1       5.541   0.475  -2.139  1.00  0.00           H  
HETATM   36  H   UNL     1       5.569   2.025  -1.263  1.00  0.00           H  
HETATM   37  H   UNL     1       5.568   2.019   1.271  1.00  0.00           H  
HETATM   38  H   UNL     1       5.540   0.465   2.140  1.00  0.00           H  
HETATM   39  H   UNL     1       0.952  -4.234   1.834  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.254  -2.917   1.847  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.373   3.663  -0.006  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.082   4.550   0.000  1.00  0.00           H  
HETATM   43  H   UNL     1       1.378   2.701  -0.001  1.00  0.00           H  
HETATM   44  H   UNL     1       3.557  -1.729   0.001  1.00  0.00           H  
HETATM   45  H   UNL     1       7.760  -0.100  -1.206  1.00  0.00           H  
HETATM   46  H   UNL     1       7.830   1.445  -2.088  1.00  0.00           H  
HETATM   47  H   UNL     1       7.651   2.585   0.006  1.00  0.00           H  
HETATM   48  H   UNL     1       7.828   1.435   2.095  1.00  0.00           H  
HETATM   49  H   UNL     1       7.759  -0.105   1.206  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.628  -3.059  -1.579  1.00  0.00           H  
HETATM   51  H   UNL     1       0.900  -3.879  -2.025  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.905  -5.566   1.357  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.840  -4.189   0.693  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.229  -5.376  -1.313  1.00  0.00           H  
HETATM   55  H   UNL     1       0.388  -5.806  -0.666  1.00  0.00           H  
CONECT    1    2    2   14   31                                       
CONECT    2    3   15    1    1                                       
CONECT    3    5   12   12    2                                       
CONECT    4   16   16   19   15                                       
CONECT    5   20   20   16    3                                       
CONECT    6   23   23   22   32                                       
CONECT    7   28   11   19   33                                       
CONECT    8   23   10    9   34                                       
CONECT    9    8   25   35   36                                       
CONECT   10    8   27   37   38                                       
CONECT   11   29    7   39   40                                       
CONECT   12   21    3    3   13                                       
CONECT   13   12   14   14   41                                       
CONECT   14   13   13    1   42                                       
CONECT   15    4   17    2                                            
CONECT   16    5    4    4                                            
CONECT   17   18   15   22   22                                       
CONECT   18   19   24   24   17                                       
CONECT   19    7    4   18                                            
CONECT   20    5    5                                                 
CONECT   21   12                                                      
CONECT   22   17   17    6   43                                       
CONECT   23   24    8    6    6                                       
CONECT   24   18   18   23   44                                       
CONECT   25    9   26   45   46                                       
CONECT   26   27   25   47                                            
CONECT   27   10   26   48   49                                       
CONECT   28   30    7   50   51                                       
CONECT   29   30   11   52   53                                       
CONECT   30   29   28   54   55                                       
CONECT   31    1                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
