COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.655  -0.953  -0.944  1.00  0.00           C  
HETATM    2  C   UNL     1       4.523  -0.509  -2.043  1.00  0.00           C  
HETATM    3  C   UNL     1       2.391   2.285   0.249  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.227  -0.128  -1.368  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.905   0.695  -0.304  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.159   0.204   0.752  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.735  -1.111   0.748  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.056  -1.939  -0.317  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.804  -1.444  -1.377  1.00  0.00           C  
HETATM   10  C   UNL     1       2.745  -1.320   0.372  1.00  0.00           C  
HETATM   11  C   UNL     1       1.543  -1.123   0.981  1.00  0.00           C  
HETATM   12  C   UNL     1       2.292   0.826   0.425  1.00  0.00           C  
HETATM   13  C   UNL     1       5.665  -0.432   0.112  1.00  0.00           C  
HETATM   14  C   UNL     1       4.484   0.191  -0.661  1.00  0.00           C  
HETATM   15  C   UNL     1       6.042  -0.629  -2.322  1.00  0.00           C  
HETATM   16  C   UNL     1       1.502   4.538   0.518  1.00  0.00           C  
HETATM   17  N   UNL     1       0.711  -2.126   1.499  1.00  0.00           N  
HETATM   18  N   UNL     1       3.219  -0.092   0.021  1.00  0.00           N  
HETATM   19  N   UNL     1       1.293   0.186   0.999  1.00  0.00           N  
HETATM   20  N   UNL     1       1.403   3.087   0.693  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.639  -3.233  -0.324  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.590  -0.647   2.986  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.395  -2.959   2.482  1.00  0.00           O  
HETATM   24  O   UNL     1       3.365   2.767  -0.299  1.00  0.00           O  
HETATM   25  S   UNL     1      -0.785  -1.735   2.094  1.00  0.00           S  
HETATM   26 BR   UNL     1      -3.484   2.495  -0.295  1.00  0.00          Br  
HETATM   27 CL   UNL     1      -3.215  -2.480  -2.708  1.00  0.00          Cl  
HETATM   28  H   UNL     1       7.616  -0.449  -0.836  1.00  0.00           H  
HETATM   29  H   UNL     1       6.784  -2.030  -0.836  1.00  0.00           H  
HETATM   30  H   UNL     1       4.061  -1.494  -1.990  1.00  0.00           H  
HETATM   31  H   UNL     1       4.035   0.105  -2.800  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.813   0.256  -2.190  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.909   0.849   1.582  1.00  0.00           H  
HETATM   34  H   UNL     1       3.233  -2.269   0.204  1.00  0.00           H  
HETATM   35  H   UNL     1       5.312  -1.256   0.732  1.00  0.00           H  
HETATM   36  H   UNL     1       6.145   0.325   0.733  1.00  0.00           H  
HETATM   37  H   UNL     1       4.626   1.266  -0.774  1.00  0.00           H  
HETATM   38  H   UNL     1       6.435   0.314  -2.703  1.00  0.00           H  
HETATM   39  H   UNL     1       6.237  -1.437  -3.026  1.00  0.00           H  
HETATM   40  H   UNL     1       0.617   5.016   0.937  1.00  0.00           H  
HETATM   41  H   UNL     1       2.391   4.906   1.031  1.00  0.00           H  
HETATM   42  H   UNL     1       1.572   4.771  -0.544  1.00  0.00           H  
HETATM   43  H   UNL     1       1.011  -3.048   1.510  1.00  0.00           H  
HETATM   44  H   UNL     1       0.627   2.703   1.130  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.293  -3.859   0.014  1.00  0.00           H  
CONECT    1   15   13   28   29                                       
CONECT    2   15   14   30   31                                       
CONECT    3   24   24   12   20                                       
CONECT    4    5    9    9   32                                       
CONECT    5   26    6    6    4                                       
CONECT    6    5    5    7   33                                       
CONECT    7   25    6    8    8                                       
CONECT    8    7    7    9   21                                       
CONECT    9    4    4    8   27                                       
CONECT   10   18   11   11   34                                       
CONECT   11   10   10   17   19                                       
CONECT   12   18    3   19   19                                       
CONECT   13    1   14   35   36                                       
CONECT   14   13    2   18   37                                       
CONECT   15    1    2   38   39                                       
CONECT   16   20   40   41   42                                       
CONECT   17   25   11   43                                            
CONECT   18   14   10   12                                            
CONECT   19   11   12   12                                            
CONECT   20    3   16   44                                            
CONECT   21    8   45                                                 
CONECT   22   25   25                                                 
CONECT   23   25   25                                                 
CONECT   24    3    3                                                 
CONECT   25   22   22   23   23                                       
CONECT   25   17    7                                                 
CONECT   26    5                                                      
CONECT   27    9                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
