COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.879   2.163  -0.066  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.681   2.654  -0.375  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.674   0.664   0.186  1.00  0.00           C  
HETATM    4  C   UNL     1       0.268  -0.338   0.416  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.427  -1.462   0.882  1.00  0.00           C  
HETATM    6  C   UNL     1       0.194  -2.783   1.259  1.00  0.00           C  
HETATM    7  C   UNL     1       1.732  -0.233   0.208  1.00  0.00           C  
HETATM    8  C   UNL     1       3.927   0.300   1.043  1.00  0.00           C  
HETATM    9  C   UNL     1       4.473  -0.037  -0.183  1.00  0.00           C  
HETATM   10  C   UNL     1       3.659  -0.465  -1.217  1.00  0.00           C  
HETATM   11  C   UNL     1       2.290  -0.566  -1.030  1.00  0.00           C  
HETATM   12  C   UNL     1       2.133  -1.310  -3.282  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.956  -4.263  -0.696  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.747  -3.321   0.492  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.601  -1.885  -0.015  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.393  -0.944   1.173  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.438   1.279   0.537  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.010   1.112  -0.872  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.414   0.516  -0.998  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.187   2.005  -1.268  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.013   0.924   0.373  1.00  0.00           C  
HETATM   22  C   UNL     1       2.560   0.205   1.245  1.00  0.00           C  
HETATM   23  C   UNL     1       2.931   0.975   3.464  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.571   4.072  -0.872  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.253   0.431   0.687  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.594   1.927  -0.255  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.705  -1.178   0.937  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.902   0.138   0.510  1.00  0.00           N  
HETATM   29  O   UNL     1       2.024   0.536   2.450  1.00  0.00           O  
HETATM   30  O   UNL     1       1.493  -0.987  -2.046  1.00  0.00           O  
HETATM   31 BR   UNL     1       6.341   0.090  -0.447  1.00  0.00          Br  
HETATM   32  H   UNL     1       0.457  -2.771   2.317  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.518  -3.586   1.071  1.00  0.00           H  
HETATM   34  H   UNL     1       1.092  -2.945   0.663  1.00  0.00           H  
HETATM   35  H   UNL     1       4.568   0.633   1.845  1.00  0.00           H  
HETATM   36  H   UNL     1       4.093  -0.726  -2.171  1.00  0.00           H  
HETATM   37  H   UNL     1       2.652  -0.430  -3.663  1.00  0.00           H  
HETATM   38  H   UNL     1       2.851  -2.114  -3.121  1.00  0.00           H  
HETATM   39  H   UNL     1       1.384  -1.631  -4.006  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.858  -3.974  -1.234  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.097  -4.200  -1.365  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.060  -5.286  -0.334  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.605  -3.385   1.161  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.845  -3.610   1.031  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.743  -1.822  -0.684  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.503  -1.597  -0.554  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.251  -1.007   1.841  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.490  -1.232   1.711  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.161   2.322   0.695  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.189   0.988   1.271  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.285   0.861  -1.647  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.613  -0.126  -1.856  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.930   0.244  -0.078  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.554   2.713  -0.524  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.237   2.343  -2.303  1.00  0.00           H  
HETATM   56  H   UNL     1       3.654   0.186   3.671  1.00  0.00           H  
HETATM   57  H   UNL     1       3.455   1.867   3.121  1.00  0.00           H  
HETATM   58  H   UNL     1       2.375   1.207   4.372  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.430   4.744  -0.025  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.719   4.155  -1.547  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.484   4.343  -1.403  1.00  0.00           H  
CONECT    1   21   21    2                                            
CONECT    2    1   24   26   26                                       
CONECT    3   28   26    4    4                                       
CONECT    4    3    3    5    7                                       
CONECT    5   27   27    4    6                                       
CONECT    6    5   32   33   34                                       
CONECT    7    4   22   22   11                                       
CONECT    8   22    9    9   35                                       
CONECT    9    8    8   10   31                                       
CONECT   10   11   11    9   36                                       
CONECT   11    7   30   10   10                                       
CONECT   12   30   37   38   39                                       
CONECT   13   14   40   41   42                                       
CONECT   14   15   13   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   25   47   48                                       
CONECT   17   18   25   49   50                                       
CONECT   18   19   17   20   51                                       
CONECT   19   18   20   52   53                                       
CONECT   20   19   18   54   55                                       
CONECT   21   25    1    1   28                                       
CONECT   22   29    7    7    8                                       
CONECT   23   29   56   57   58                                       
CONECT   24    2   59   60   61                                       
CONECT   25   17   16   21                                            
CONECT   26    2    2    3                                            
CONECT   27   28    5    5                                            
CONECT   28   21   27    3                                            
CONECT   29   23   22                                                 
CONECT   30   11   12                                                 
CONECT   31    9                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
