COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.078   1.936   0.006  1.00  0.00           C  
HETATM    2  C   UNL     1       0.189  -2.841  -0.193  1.00  0.00           C  
HETATM    3  C   UNL     1       1.480  -2.066  -0.166  1.00  0.00           C  
HETATM    4  C   UNL     1       1.456  -0.690  -0.034  1.00  0.00           C  
HETATM    5  C   UNL     1       0.324  -4.285   0.319  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.033  -4.082   1.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.714  -2.578   1.024  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.515  -2.736  -1.482  1.00  0.00           C  
HETATM    9  C   UNL     1       2.687  -2.733  -0.267  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.335   2.325  -2.003  1.00  0.00           C  
HETATM   11  C   UNL     1       3.860  -0.647  -0.117  1.00  0.00           C  
HETATM   12  C   UNL     1       2.645   0.025  -0.009  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.176   2.497  -1.259  1.00  0.00           C  
HETATM   14  O   UNL     1       5.029   0.048  -0.093  1.00  0.00           O  
HETATM   15  N   UNL     1       2.623   1.418   0.123  1.00  0.00           N  
HETATM   16  S   UNL     1       1.392   2.152   0.954  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.135   1.214   0.525  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.291   1.049  -0.216  1.00  0.00           C  
HETATM   19 BR   UNL     1      -3.737   0.060   0.496  1.00  0.00          Br  
HETATM   20  C   UNL     1      -2.392   1.607  -1.478  1.00  0.00           C  
HETATM   21  O   UNL     1       0.860   3.213  -1.769  1.00  0.00           O  
HETATM   22  O   UNL     1       1.675   3.544   0.944  1.00  0.00           O  
HETATM   23  O   UNL     1       1.213   1.404   2.148  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.057  -2.655  -2.476  1.00  0.00           N  
HETATM   25  C   UNL     1       3.876  -2.027  -0.243  1.00  0.00           C  
HETATM   26  H   UNL     1       0.512  -0.172   0.048  1.00  0.00           H  
HETATM   27  H   UNL     1       0.300  -5.033  -0.473  1.00  0.00           H  
HETATM   28  H   UNL     1       1.153  -4.427   1.012  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.887  -4.343   0.391  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.083  -4.524   2.010  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.168  -2.253   1.910  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.574  -1.947   0.802  1.00  0.00           H  
HETATM   33  H   UNL     1       2.702  -3.808  -0.366  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.414   2.761  -2.988  1.00  0.00           H  
HETATM   35  H   UNL     1       5.337   0.329  -0.966  1.00  0.00           H  
HETATM   36  H   UNL     1       3.329   1.954  -0.272  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.058   0.777   1.510  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.296   1.478  -2.055  1.00  0.00           H  
HETATM   39  H   UNL     1       1.535   2.673  -2.204  1.00  0.00           H  
HETATM   40  H   UNL     1       4.817  -2.551  -0.322  1.00  0.00           H  
CONECT    1   16   17   17   13                                       
CONECT    2    5    7    8    3                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3   12   26                                       
CONECT    5    6    2   27   28                                       
CONECT    6    5    7   29   30                                       
CONECT    7    6    2   31   32                                       
CONECT    8    2   24   24   24                                       
CONECT    9    3   25   25   33                                       
CONECT   10   13   13   20   34                                       
CONECT   11   12   12   25   14                                       
CONECT   12    4   15   11   11                                       
CONECT   13    1   21   10   10                                       
CONECT   14   11   35                                                 
CONECT   15   16   12   36                                            
CONECT   16   23   23   22   22                                       
CONECT   16   15    1                                                 
CONECT   17    1    1   18   37                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18   10   38                                       
CONECT   21   13   39                                                 
CONECT   22   16   16                                                 
CONECT   23   16   16                                                 
CONECT   24    8    8    8                                            
CONECT   25    9    9   11   40                                       
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
