COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.771  -0.964 -12.152  1.00  0.00           C  
HETATM    2  C   UNL     1       2.508   0.015 -11.324  1.00  0.00           C  
HETATM    3  C   UNL     1       1.226   0.008 -10.531  1.00  0.00           C  
HETATM    4  N   UNL     1       1.538   0.008  -9.096  1.00  0.00           N  
HETATM    5  C   UNL     1       0.253   0.000  -8.384  1.00  0.00           C  
HETATM    6  C   UNL     1       0.505   0.000  -6.875  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.833  -0.007  -6.134  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.581  -0.008  -4.625  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.919  -0.016  -3.885  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.667  -0.017  -2.376  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.917  -0.024  -1.684  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.631  -0.024  -0.355  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.654  -0.025   0.577  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.343  -0.032   1.920  1.00  0.00           C  
HETATM   15  S   UNL     1      -4.279  -0.039   3.425  1.00  0.00           S  
HETATM   16  N   UNL     1      -2.998  -0.035   4.554  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.908  -0.028   3.834  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.006  -0.026   2.379  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.991  -0.019   1.399  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.306  -0.019   0.076  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.581  -0.024   4.491  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.367   0.749   5.632  1.00  0.00           C  
HETATM   23  C   UNL     1       0.870   0.750   6.240  1.00  0.00           C  
HETATM   24  C   UNL     1       1.900  -0.015   5.721  1.00  0.00           C  
HETATM   25  C   UNL     1       1.694  -0.785   4.589  1.00  0.00           C  
HETATM   26  C   UNL     1       0.458  -0.797   3.976  1.00  0.00           C  
HETATM   27 BR   UNL     1       3.594  -0.010   6.560  1.00  0.00          Br  
HETATM   28  C   UNL     1       2.176   1.298  -8.802  1.00  0.00           C  
HETATM   29  H   UNL     1       3.690  -0.958 -12.720  1.00  0.00           H  
HETATM   30  H   UNL     1       2.070  -1.777 -12.267  1.00  0.00           H  
HETATM   31  H   UNL     1       3.209   0.829 -11.209  1.00  0.00           H  
HETATM   32  H   UNL     1       0.651  -0.883 -10.778  1.00  0.00           H  
HETATM   33  H   UNL     1       0.643   0.896 -10.776  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.317   0.888  -8.657  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.309  -0.891  -8.659  1.00  0.00           H  
HETATM   36  H   UNL     1       1.076  -0.887  -6.603  1.00  0.00           H  
HETATM   37  H   UNL     1       1.067   0.892  -6.600  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.404   0.880  -6.407  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.395  -0.899  -6.409  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.010  -0.896  -4.353  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.018   0.883  -4.350  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.490   0.871  -4.157  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.482  -0.908  -4.160  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.096  -0.904  -2.103  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.105   0.875  -2.101  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.685  -0.029   0.257  1.00  0.00           H  
HETATM   47  H   UNL     1       0.045  -0.015   1.702  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.511  -0.014  -0.655  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.169   1.347   6.037  1.00  0.00           H  
HETATM   50  H   UNL     1       1.037   1.348   7.123  1.00  0.00           H  
HETATM   51  H   UNL     1       2.500  -1.381   4.188  1.00  0.00           H  
HETATM   52  H   UNL     1       0.298  -1.399   3.093  1.00  0.00           H  
HETATM   53  H   UNL     1       3.139   1.351  -9.310  1.00  0.00           H  
HETATM   54  H   UNL     1       1.535   2.108  -9.150  1.00  0.00           H  
HETATM   55  H   UNL     1       2.327   1.392  -7.726  1.00  0.00           H  
CONECT    1    2    2   29   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5   28                                            
CONECT    5    4    6   34   35                                       
CONECT    6    5    7   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   11   44   45                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   20                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   15   18   18                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   21                                       
CONECT   18   14   14   17   19                                       
CONECT   19   18   20   20   47                                       
CONECT   20   12   19   19   48                                       
CONECT   21   17   22   22   26                                       
CONECT   22   21   21   23   49                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23   25   27                                       
CONECT   25   24   26   26   51                                       
CONECT   26   21   25   25   52                                       
CONECT   27   24                                                      
CONECT   28    4   53   54   55                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   13                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
