COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.189  -1.987   0.450  1.00  0.00           S  
HETATM    2 BR   UNL     1       4.495   0.699  -0.984  1.00  0.00          Br  
HETATM    3  C   UNL     1       2.826  -0.074  -0.541  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.333  -0.790   0.408  1.00  0.00           N  
HETATM    5  O   UNL     1      -1.113  -2.421   1.801  1.00  0.00           O  
HETATM    6  C   UNL     1       2.155   0.317   0.630  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.045  -0.010  -1.002  1.00  0.00           N  
HETATM    8  O   UNL     1      -1.482  -2.860  -0.632  1.00  0.00           O  
HETATM    9  C   UNL     1       0.905  -0.274   0.945  1.00  0.00           C  
HETATM   10  C   UNL     1       0.362  -1.239   0.080  1.00  0.00           C  
HETATM   11  C   UNL     1       1.041  -1.593  -1.046  1.00  0.00           C  
HETATM   12  C   UNL     1       2.266  -1.009  -1.359  1.00  0.00           C  
HETATM   13  C   UNL     1       0.234   0.117   2.116  1.00  0.00           C  
HETATM   14  C   UNL     1       0.791   1.054   2.930  1.00  0.00           C  
HETATM   15  C   UNL     1       2.020   1.635   2.621  1.00  0.00           C  
HETATM   16  C   UNL     1       2.698   1.281   1.496  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.607  -0.082  -0.845  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.927   0.637  -0.737  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.223   0.578  -0.922  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.326   1.906  -0.554  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.172   2.619  -0.268  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.952   1.967  -0.363  1.00  0.00           C  
HETATM   23  H   UNL     1      -2.822  -0.557   1.213  1.00  0.00           H  
HETATM   24  H   UNL     1       0.621  -2.335  -1.709  1.00  0.00           H  
HETATM   25  H   UNL     1       2.782  -1.304  -2.261  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.719  -0.324   2.368  1.00  0.00           H  
HETATM   27  H   UNL     1       0.273   1.353   3.830  1.00  0.00           H  
HETATM   28  H   UNL     1       2.439   2.377   3.284  1.00  0.00           H  
HETATM   29  H   UNL     1       3.650   1.740   1.269  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.814   0.641  -1.035  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.649  -0.799  -1.665  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.117   0.015  -1.147  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.293   2.382  -0.490  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.222   3.658   0.023  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.033   2.492  -0.147  1.00  0.00           H  
CONECT    1    4    5    5    8                                       
CONECT    1    8   10                                                 
CONECT    2    3                                                      
CONECT    3    2    6    6   12                                       
CONECT    4    1   17   23                                            
CONECT    5    1    1                                                 
CONECT    6    3    3    9   16                                       
CONECT    7   18   18   19                                            
CONECT    8    1    1                                                 
CONECT    9    6   10   10   13                                       
CONECT   10    1    9    9   11                                       
CONECT   11   10   12   12   24                                       
CONECT   12    3   11   11   25                                       
CONECT   13    9   14   14   26                                       
CONECT   14   13   13   15   27                                       
CONECT   15   14   16   16   28                                       
CONECT   16    6   15   15   29                                       
CONECT   17    4   18   30   31                                       
CONECT   18    7    7   17   22                                       
CONECT   19    7   20   20   32                                       
CONECT   20   19   19   21   33                                       
CONECT   21   20   22   22   34                                       
CONECT   22   18   21   21   35                                       
CONECT   23    4                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   19                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   22                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
