COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.120  -2.014  -0.491  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.929  -1.277  -0.284  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.597  -1.715  -0.367  1.00  0.00           C  
HETATM    4  C   UNL     1       0.332  -0.786  -0.118  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.288   0.676   0.172  1.00  0.00           C  
HETATM    6  C   UNL     1       4.465  -1.535   0.528  1.00  0.00           C  
HETATM    7  C   UNL     1       6.743  -0.785   0.378  1.00  0.00           C  
HETATM    8  C   UNL     1       6.054   2.661  -0.499  1.00  0.00           C  
HETATM    9  C   UNL     1       4.807   2.172  -0.396  1.00  0.00           C  
HETATM   10 BR   UNL     1      -6.126   0.748   0.127  1.00  0.00          Br  
HETATM   11  C   UNL     1      -4.427  -0.065  -0.040  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.333  -1.412  -0.372  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.417   0.757   0.249  1.00  0.00           S  
HETATM   14  C   UNL     1      -2.029   0.079   0.050  1.00  0.00           C  
HETATM   15  C   UNL     1       1.781  -1.025  -0.148  1.00  0.00           C  
HETATM   16  O   UNL     1       2.210  -2.133  -0.414  1.00  0.00           O  
HETATM   17  N   UNL     1       2.636  -0.018   0.118  1.00  0.00           N  
HETATM   18  C   UNL     1       4.008  -0.270   0.204  1.00  0.00           C  
HETATM   19  C   UNL     1       5.826  -1.786   0.614  1.00  0.00           C  
HETATM   20  C   UNL     1       6.309   0.496   0.050  1.00  0.00           C  
HETATM   21  N   UNL     1       6.964   1.673  -0.235  1.00  0.00           N  
HETATM   22  C   UNL     1       4.931   0.757  -0.039  1.00  0.00           C  
HETATM   23  H   UNL     1      -3.065  -3.061  -0.750  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.341  -2.734  -0.614  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.366   1.722   0.429  1.00  0.00           H  
HETATM   26  H   UNL     1       3.758  -2.329   0.720  1.00  0.00           H  
HETATM   27  H   UNL     1       7.800  -0.995   0.448  1.00  0.00           H  
HETATM   28  H   UNL     1       6.301   3.681  -0.751  1.00  0.00           H  
HETATM   29  H   UNL     1       3.888   2.718  -0.549  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.233  -1.986  -0.537  1.00  0.00           H  
HETATM   31  H   UNL     1       2.299   0.882   0.250  1.00  0.00           H  
HETATM   32  H   UNL     1       6.171  -2.777   0.868  1.00  0.00           H  
HETATM   33  H   UNL     1       7.928   1.785  -0.249  1.00  0.00           H  
CONECT    1   12   12    2   23                                       
CONECT    2   14   14    1    3                                       
CONECT    3    2    4    4   24                                       
CONECT    4   13    3    3   15                                       
CONECT    5   11   11   14   25                                       
CONECT    6   18   18   19   26                                       
CONECT    7   19   19   20   27                                       
CONECT    8    9    9   21   28                                       
CONECT    9   22    8    8   29                                       
CONECT   10   11                                                      
CONECT   11   10    5    5   12                                       
CONECT   12   11    1    1   30                                       
CONECT   13   14    4                                                 
CONECT   14    5   13    2    2                                       
CONECT   15    4   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   31                                            
CONECT   18   17    6    6   22                                       
CONECT   19    6    7    7   32                                       
CONECT   20   22   22    7   21                                       
CONECT   21   20    8   33                                            
CONECT   22   18   20   20    9                                       
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   12                                                      
CONECT   31   17                                                      
CONECT   32   19                                                      
CONECT   33   21                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
