COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.464   5.465  -0.853  1.00  0.00           S  
HETATM    2  C   UNL     1       0.705   5.910  -2.321  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.533   5.321  -2.463  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.861   4.494  -1.351  1.00  0.00           C  
HETATM    5  C   UNL     1       0.137   4.480  -0.399  1.00  0.00           C  
HETATM    6  C   UNL     1       1.328   6.822  -3.302  1.00  0.00           C  
HETATM    7  N   UNL     1       2.531   7.365  -3.117  1.00  0.00           N  
HETATM    8  N   UNL     1       0.723   7.175  -4.468  1.00  0.00           N  
HETATM    9  C   UNL     1       0.209   3.782   0.862  1.00  0.00           C  
HETATM   10  C   UNL     1       0.757   2.501   0.921  1.00  0.00           C  
HETATM   11  C   UNL     1       0.838   1.804   2.143  1.00  0.00           C  
HETATM   12  C   UNL     1       0.348   2.437   3.302  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.200   3.718   3.242  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.270   4.391   2.022  1.00  0.00           C  
HETATM   15 BR   UNL     1      -2.493   3.545  -1.244  1.00  0.00          Br  
HETATM   16  O   UNL     1      -1.314   5.527  -3.541  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.159   4.634  -4.652  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.098   5.030  -5.757  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.937   4.209  -6.825  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.897   5.954  -5.721  1.00  0.00           O  
HETATM   21  N   UNL     1       1.380   0.533   2.201  1.00  0.00           N  
HETATM   22  C   UNL     1       1.896  -0.169   1.049  1.00  0.00           C  
HETATM   23  C   UNL     1       2.888  -1.258   1.465  1.00  0.00           C  
HETATM   24  C   UNL     1       2.196  -2.460   2.105  1.00  0.00           C  
HETATM   25  N   UNL     1       1.160  -2.993   1.173  1.00  0.00           N  
HETATM   26  C   UNL     1       0.116  -1.978   0.852  1.00  0.00           C  
HETATM   27  C   UNL     1       0.766  -0.759   0.199  1.00  0.00           C  
HETATM   28  S   UNL     1       0.567  -4.556   1.556  1.00  0.00           S  
HETATM   29  O   UNL     1       1.690  -5.453   1.707  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.539  -4.860   0.676  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.089  -4.220   3.169  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.673  -5.494   3.698  1.00  0.00           C  
HETATM   33  C   UNL     1       0.123  -6.366   4.435  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.420  -7.552   4.927  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.758  -7.862   4.681  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.552  -6.985   3.942  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.008  -5.798   3.449  1.00  0.00           C  
HETATM   38  N   UNL     1       1.570   7.992  -5.082  1.00  0.00           N  
HETATM   39  N   UNL     1       2.619   8.074  -4.252  1.00  0.00           N  
HETATM   40  H   UNL     1       1.132   2.022   0.019  1.00  0.00           H  
HETATM   41  H   UNL     1       0.396   1.922   4.258  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.573   4.191   4.146  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.701   5.389   1.992  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.128   4.706  -5.008  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.375   3.615  -4.322  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.538   4.446  -7.564  1.00  0.00           H  
HETATM   47  H   UNL     1       1.419   0.064   3.097  1.00  0.00           H  
HETATM   48  H   UNL     1       2.431   0.570   0.442  1.00  0.00           H  
HETATM   49  H   UNL     1       3.632  -0.853   2.161  1.00  0.00           H  
HETATM   50  H   UNL     1       3.433  -1.597   0.574  1.00  0.00           H  
HETATM   51  H   UNL     1       2.943  -3.237   2.299  1.00  0.00           H  
HETATM   52  H   UNL     1       1.731  -2.184   3.058  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.417  -1.693   1.767  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.608  -2.411   0.154  1.00  0.00           H  
HETATM   55  H   UNL     1       1.179  -1.059  -0.772  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.001   0.000   0.001  1.00  0.00           H  
HETATM   57  H   UNL     1       0.725  -3.851   3.799  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.843  -3.433   3.074  1.00  0.00           H  
HETATM   59  H   UNL     1       1.167  -6.133   4.632  1.00  0.00           H  
HETATM   60  H   UNL     1       0.198  -8.235   5.502  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.181  -8.786   5.064  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.593  -7.226   3.750  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.634  -5.121   2.875  1.00  0.00           H  
HETATM   64  H   UNL     1       3.431   8.642  -4.468  1.00  0.00           H  
CONECT    1    5    2                                                 
CONECT    2    1    6    3    3                                       
CONECT    3    2    2    4   16                                       
CONECT    4    3    5    5   15                                       
CONECT    5    1    4    4    9                                       
CONECT    6    2    7    7    8                                       
CONECT    7    6    6   39                                            
CONECT    8    6   38   38                                            
CONECT    9    5   14   14   10                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10   12   21                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12   14   42                                       
CONECT   14    9    9   13   43                                       
CONECT   15    4                                                      
CONECT   16    3   17                                                 
CONECT   17   16   18   44   45                                       
CONECT   18   17   20   20   19                                       
CONECT   19   18   46                                                 
CONECT   20   18   18                                                 
CONECT   21   11   22   47                                            
CONECT   22   21   27   23   48                                       
CONECT   23   22   24   49   50                                       
CONECT   24   23   25   51   52                                       
CONECT   25   24   26   28                                            
CONECT   26   25   27   53   54                                       
CONECT   27   22   26   55   56                                       
CONECT   28   25   31   30   30                                       
CONECT   28   29   29                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32   57   58                                       
CONECT   32   31   37   37   33                                       
CONECT   33   32   34   34   59                                       
CONECT   34   33   33   35   60                                       
CONECT   35   34   36   36   61                                       
CONECT   36   35   35   37   62                                       
CONECT   37   32   32   36   63                                       
CONECT   38    8    8   39                                            
CONECT   39    7   38   64                                            
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   39                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
