COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.200   3.361   0.894  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.555   1.978   0.341  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.636   2.120  -0.731  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.357   1.365  -0.249  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.632   0.712   0.850  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.367   0.049   0.303  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.612  -0.631   1.447  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.400  -1.266   0.923  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.293  -2.555   0.456  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.137  -3.570   0.311  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.728  -4.718  -0.188  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.480  -4.920  -0.570  1.00  0.00           N  
HETATM   13  C   UNL     1       0.434  -3.960  -0.468  1.00  0.00           C  
HETATM   14  N   UNL     1       1.741  -4.181  -0.871  1.00  0.00           N  
HETATM   15  C   UNL     1       0.045  -2.718   0.059  1.00  0.00           C  
HETATM   16  N   UNL     1       0.683  -1.547   0.304  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.164  -0.687   0.813  1.00  0.00           C  
HETATM   18  S   UNL     1       0.227   0.965   1.286  1.00  0.00           S  
HETATM   19  C   UNL     1       1.896   1.055   0.729  1.00  0.00           C  
HETATM   20  C   UNL     1       2.939   0.974   1.643  1.00  0.00           C  
HETATM   21  C   UNL     1       4.250   1.044   1.205  1.00  0.00           C  
HETATM   22  O   UNL     1       5.434   0.991   1.883  1.00  0.00           O  
HETATM   23  C   UNL     1       6.420   1.522   0.978  1.00  0.00           C  
HETATM   24  O   UNL     1       5.876   1.239  -0.325  1.00  0.00           O  
HETATM   25  C   UNL     1       4.522   1.197  -0.153  1.00  0.00           C  
HETATM   26  C   UNL     1       3.479   1.277  -1.062  1.00  0.00           C  
HETATM   27  C   UNL     1       2.170   1.202  -0.625  1.00  0.00           C  
HETATM   28 BR   UNL     1       0.750   1.312  -1.869  1.00  0.00          Br  
HETATM   29  H   UNL     1      -5.830   3.991   0.085  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.088   3.816   1.332  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.429   3.260   1.658  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.925   1.348   1.150  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.266   2.750  -1.540  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.889   1.135  -1.125  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.525   2.575  -0.294  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.679   0.630  -0.861  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.358   1.457   1.597  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.270  -0.044   1.307  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.641  -0.695  -0.445  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.729   0.806  -0.155  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.338   0.114   2.194  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.250  -1.387   1.904  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.439  -5.525  -0.288  1.00  0.00           H  
HETATM   44  H   UNL     1       2.399  -3.473  -0.791  1.00  0.00           H  
HETATM   45  H   UNL     1       1.998  -5.043  -1.233  1.00  0.00           H  
HETATM   46  H   UNL     1       2.727   0.856   2.695  1.00  0.00           H  
HETATM   47  H   UNL     1       6.532   2.596   1.121  1.00  0.00           H  
HETATM   48  H   UNL     1       7.376   1.015   1.112  1.00  0.00           H  
HETATM   49  H   UNL     1       3.690   1.396  -2.115  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3    4   32                                       
CONECT    3    2   33   34   35                                       
CONECT    4    2    5   36                                            
CONECT    5    4    6   37   38                                       
CONECT    6    5    7   39   40                                       
CONECT    7    6    8   41   42                                       
CONECT    8    7    9   17                                            
CONECT    9    8   10   15   15                                       
CONECT   10    9   11   11                                            
CONECT   11   10   10   12   43                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   15                                       
CONECT   14   13   44   45                                            
CONECT   15    9    9   13   16                                       
CONECT   16   15   17   17                                            
CONECT   17    8   16   16   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   27   27                                       
CONECT   20   19   21   21   46                                       
CONECT   21   20   20   22   25                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   47   48                                       
CONECT   24   23   25                                                 
CONECT   25   21   24   26   26                                       
CONECT   26   25   25   27   49                                       
CONECT   27   19   19   26   28                                       
CONECT   28   27                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
