COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       0.186   0.656   4.633  1.00  0.00           C  
HETATM    2  C   UNK     1      -0.091   0.111   6.011  1.00  0.00           C  
HETATM    3  O   UNK     1       0.742  -0.556   6.576  1.00  0.00           O  
HETATM    4  O   UNK     1      -1.264   0.368   6.610  1.00  0.00           O  
HETATM    5  N   UNK     1       1.628   0.891   4.482  1.00  0.00           N  
HETATM    6  C   UNK     1      -0.279  -0.353   3.582  1.00  0.00           C  
HETATM    7  S   UNK     1       0.055   0.301   1.924  1.00  0.00           S  
HETATM    8 BR   UNK     1       0.147   0.293  -5.055  1.00  0.00          Br  
HETATM    9  C   UNK     1      -0.401  -0.731  -0.546  1.00  0.00           C  
HETATM   10  C   UNK     1       0.761  -1.093  -1.200  1.00  0.00           C  
HETATM   11  C   UNK     1       0.924  -0.788  -2.539  1.00  0.00           C  
HETATM   12  C   UNK     1      -0.075  -0.122  -3.224  1.00  0.00           C  
HETATM   13  C   UNK     1      -1.238   0.239  -2.569  1.00  0.00           C  
HETATM   14  C   UNK     1      -1.403  -0.070  -1.232  1.00  0.00           C  
HETATM   15  C   UNK     1      -0.579  -1.063   0.912  1.00  0.00           C  
HETATM   16  H   UNK     1      -0.351   1.594   4.499  1.00  0.00           H  
HETATM   17  H   UNK     1      -1.443   0.018   7.494  1.00  0.00           H  
HETATM   18  H   UNK     1       2.083   0.000   4.614  1.00  0.00           H  
HETATM   19  H   UNK     1       1.779   1.154   3.519  1.00  0.00           H  
HETATM   20  H   UNK     1       0.258  -1.292   3.717  1.00  0.00           H  
HETATM   21  H   UNK     1      -1.349  -0.528   3.695  1.00  0.00           H  
HETATM   22  H   UNK     1       1.542  -1.613  -0.666  1.00  0.00           H  
HETATM   23  H   UNK     1       1.833  -1.071  -3.050  1.00  0.00           H  
HETATM   24  H   UNK     1      -2.019   0.760  -3.103  1.00  0.00           H  
HETATM   25  H   UNK     1      -2.312   0.212  -0.720  1.00  0.00           H  
HETATM   26  H   UNK     1      -0.030  -1.975   1.147  1.00  0.00           H  
HETATM   27  H   UNK     1      -1.638  -1.211   1.125  1.00  0.00           H  
CONECT    1    2    5    6   16                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2   17                                                 
CONECT    5    1   18   19                                            
CONECT    6    1    7   20   21                                       
CONECT    7    6   15                                                 
CONECT    8   12                                                      
CONECT    9   10   10   14   15                                       
CONECT   10    9    9   11   22                                       
CONECT   11   10   12   12   23                                       
CONECT   12    8   11   11   13                                       
CONECT   13   12   14   14   24                                       
CONECT   14    9   13   13   25                                       
CONECT   15    7    9   26   27                                       
CONECT   16    1                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
