COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.520   1.655   0.265  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.766  -2.846  -0.743  1.00  0.00           C  
HETATM    3  C   UNL     1       5.239  -1.634   1.240  1.00  0.00           C  
HETATM    4  C   UNL     1       6.462  -1.099   0.881  1.00  0.00           C  
HETATM    5  C   UNL     1       2.736  -1.595   1.237  1.00  0.00           C  
HETATM    6  C   UNL     1       6.516   0.058   0.126  1.00  0.00           C  
HETATM    7  C   UNL     1       5.346   0.680  -0.270  1.00  0.00           C  
HETATM    8  C   UNL     1       4.122   0.144   0.089  1.00  0.00           C  
HETATM    9  C   UNL     1       4.069  -1.012   0.844  1.00  0.00           C  
HETATM   10  C   UNL     1       2.158  -2.383   0.059  1.00  0.00           C  
HETATM   11  C   UNL     1       0.886  -3.067   0.489  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.434   5.610   1.013  1.00  0.00           N  
HETATM   13  N   UNL     1      -4.455   3.570   0.640  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.217   5.085   0.908  1.00  0.00           C  
HETATM   15  N   UNL     1       1.814  -0.510   1.599  1.00  0.00           N  
HETATM   16 BR   UNL     1       5.419   2.262  -1.303  1.00  0.00          Br  
HETATM   17  O   UNL     1       0.481  -2.938   1.625  1.00  0.00           O  
HETATM   18  N   UNL     1       0.197  -3.824  -0.389  1.00  0.00           N  
HETATM   19  S   UNL     1      -1.200  -4.576   0.084  1.00  0.00           S  
HETATM   20  O   UNL     1      -1.697  -5.255  -1.061  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.909  -5.230   1.311  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.211  -3.485   0.408  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.763  -1.773  -0.301  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.072  -0.715   0.383  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.446  -1.151  -1.534  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.860  -1.353  -1.478  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.109   0.356  -1.435  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.241   1.156  -1.783  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.762   0.513   0.067  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.883   1.667   0.276  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.064   2.854   0.485  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.102   3.708   0.651  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.282   2.957   0.518  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.515   4.863   0.882  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.091   5.877   1.046  1.00  0.00           N  
HETATM   36  H   UNL     1      -0.909   0.780   0.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.967  -2.382  -1.322  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.277  -3.586  -1.359  1.00  0.00           H  
HETATM   39  H   UNL     1       5.197  -2.540   1.826  1.00  0.00           H  
HETATM   40  H   UNL     1       7.375  -1.585   1.191  1.00  0.00           H  
HETATM   41  H   UNL     1       2.867  -2.261   2.090  1.00  0.00           H  
HETATM   42  H   UNL     1       7.472   0.475  -0.154  1.00  0.00           H  
HETATM   43  H   UNL     1       3.208   0.630  -0.220  1.00  0.00           H  
HETATM   44  H   UNL     1       1.943  -1.702  -0.764  1.00  0.00           H  
HETATM   45  H   UNL     1       2.880  -3.131  -0.267  1.00  0.00           H  
HETATM   46  H   UNL     1       2.142  -0.015   2.415  1.00  0.00           H  
HETATM   47  H   UNL     1       1.676   0.121   0.824  1.00  0.00           H  
HETATM   48  H   UNL     1       0.521  -3.928  -1.297  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.512  -2.213   0.358  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.036  -1.575  -2.451  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.340  -0.981  -2.230  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.252   0.605  -2.061  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.552   1.024  -2.689  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.669   0.608   0.663  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.484   5.330   0.974  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.183   6.826   1.222  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.208   5.482   0.967  1.00  0.00           H  
CONECT    1   30   31   31   36                                       
CONECT    2   22   23   37   38                                       
CONECT    3    4    4    9   39                                       
CONECT    4    3    3    6   40                                       
CONECT    5   15    9   10   41                                       
CONECT    6    4    7    7   42                                       
CONECT    7    6    6    8   16                                       
CONECT    8    9    9    7   43                                       
CONECT    9    5    3    8    8                                       
CONECT   10    5   11   44   45                                       
CONECT   11   18   10   17   17                                       
CONECT   12   14   14   34                                            
CONECT   13   33   34   34                                            
CONECT   14   32   35   12   12                                       
CONECT   15    5   46   47                                            
CONECT   16    7                                                      
CONECT   17   11   11                                                 
CONECT   18   19   11   48                                            
CONECT   19   20   20   18   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19    2                                                 
CONECT   23    2   25   24   49                                       
CONECT   24   23   29                                                 
CONECT   25   26   23   27   50                                       
CONECT   26   25   51                                                 
CONECT   27   25   28   29   52                                       
CONECT   28   27   53                                                 
CONECT   29   27   24   30   54                                       
CONECT   30    1   29   33                                            
CONECT   31    1    1   32                                            
CONECT   32   31   33   33   14                                       
CONECT   33   30   32   32   13                                       
CONECT   34   13   13   12   55                                       
CONECT   35   14   56   57                                            
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
