COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -6.047   0.360  -0.460  1.00  0.00          Br  
HETATM    2  C   UNL     1      -5.202   1.880   0.282  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.960   2.866   0.889  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.342   3.977   1.432  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.967   4.103   1.368  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.826   2.005   0.223  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.209   3.119   0.761  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.999   0.929  -0.433  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.685   1.475  -0.798  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.814  -0.237   0.542  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.093  -1.363  -0.154  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.761  -1.245  -1.314  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.818  -2.501   0.514  1.00  0.00           N  
HETATM   14  S   UNL     1      -1.027  -3.739  -0.250  1.00  0.00           S  
HETATM   15  O   UNL     1      -0.860  -4.766   0.717  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.695  -3.938  -1.489  1.00  0.00           O  
HETATM   17  O   UNL     1       0.370  -3.238  -0.591  1.00  0.00           O  
HETATM   18  C   UNL     1       1.251  -3.165   0.531  1.00  0.00           C  
HETATM   19  C   UNL     1       2.618  -2.653   0.074  1.00  0.00           C  
HETATM   20  C   UNL     1       3.624  -2.684   1.246  1.00  0.00           C  
HETATM   21  O   UNL     1       4.442  -3.854   1.172  1.00  0.00           O  
HETATM   22  C   UNL     1       4.478  -1.413   1.042  1.00  0.00           C  
HETATM   23  O   UNL     1       5.850  -1.758   0.840  1.00  0.00           O  
HETATM   24  C   UNL     1       3.887  -0.763  -0.229  1.00  0.00           C  
HETATM   25  O   UNL     1       2.533  -1.261  -0.302  1.00  0.00           O  
HETATM   26  N   UNL     1       3.888   0.696  -0.103  1.00  0.00           N  
HETATM   27  C   UNL     1       4.932   1.536  -0.399  1.00  0.00           C  
HETATM   28  N   UNL     1       6.171   1.369  -0.851  1.00  0.00           N  
HETATM   29  C   UNL     1       6.961   2.405  -1.041  1.00  0.00           C  
HETATM   30  N   UNL     1       6.575   3.645  -0.798  1.00  0.00           N  
HETATM   31  C   UNL     1       5.354   3.909  -0.344  1.00  0.00           C  
HETATM   32  N   UNL     1       4.958   5.211  -0.093  1.00  0.00           N  
HETATM   33  C   UNL     1       4.473   2.835  -0.126  1.00  0.00           C  
HETATM   34  N   UNL     1       3.197   2.724   0.315  1.00  0.00           N  
HETATM   35  C   UNL     1       2.850   1.470   0.324  1.00  0.00           C  
HETATM   36  H   UNL     1      -7.034   2.767   0.938  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.933   4.746   1.905  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.484   4.971   1.792  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.134   3.216   0.715  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.508   0.575  -1.329  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.193   1.809   0.017  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.136   0.791  -1.297  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.227   0.096   1.398  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.789  -0.584   0.882  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.084  -2.595   1.442  1.00  0.00           H  
HETATM   46  H   UNL     1       0.837  -2.484   1.275  1.00  0.00           H  
HETATM   47  H   UNL     1       1.363  -4.157   0.970  1.00  0.00           H  
HETATM   48  H   UNL     1       2.987  -3.250  -0.759  1.00  0.00           H  
HETATM   49  H   UNL     1       3.099  -2.646   2.201  1.00  0.00           H  
HETATM   50  H   UNL     1       5.092  -3.925   1.885  1.00  0.00           H  
HETATM   51  H   UNL     1       4.376  -0.743   1.896  1.00  0.00           H  
HETATM   52  H   UNL     1       6.253  -2.223   1.586  1.00  0.00           H  
HETATM   53  H   UNL     1       4.452  -1.070  -1.109  1.00  0.00           H  
HETATM   54  H   UNL     1       7.962   2.235  -1.408  1.00  0.00           H  
HETATM   55  H   UNL     1       5.575   5.944  -0.247  1.00  0.00           H  
HETATM   56  H   UNL     1       4.064   5.391   0.238  1.00  0.00           H  
HETATM   57  H   UNL     1       1.883   1.097   0.627  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   36                                       
CONECT    4    3    5    5   37                                       
CONECT    5    4    4    7   38                                       
CONECT    6    2    8    7    7                                       
CONECT    7    6    6    5   39                                       
CONECT    8   10    6    9   40                                       
CONECT    9    8   41   42                                            
CONECT   10   11    8   43   44                                       
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   45                                            
CONECT   14   17   16   16   13                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   18   14                                                 
CONECT   18   19   17   46   47                                       
CONECT   19   25   20   18   48                                       
CONECT   20   22   19   21   49                                       
CONECT   21   20   50                                                 
CONECT   22   24   23   20   51                                       
CONECT   23   22   52                                                 
CONECT   24   26   22   25   53                                       
CONECT   25   24   19                                                 
CONECT   26   27   24   35                                            
CONECT   27   28   28   33   26                                       
CONECT   28   29   27   27                                            
CONECT   29   30   30   28   54                                       
CONECT   30   29   29   31                                            
CONECT   31   30   32   33   33                                       
CONECT   32   31   55   56                                            
CONECT   33   31   31   27   34                                       
CONECT   34   33   35   35                                            
CONECT   35   26   34   34   57                                       
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   29                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
