COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.058  -2.866  -0.055  1.00  0.00           N1+
HETATM    2  C   UNL     1      -2.340  -0.397  -0.064  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.578   0.584   0.347  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.736   0.279   1.299  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.674   1.487   1.366  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.226   1.781  -0.030  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.131   0.879  -1.049  1.00  0.00           C  
HETATM    8  C   UNL     1       2.876   0.284   0.421  1.00  0.00           C  
HETATM    9  O   UNL     1       2.365  -1.029  -1.845  1.00  0.00           O  
HETATM   10  S   UNL     1       2.015   0.172  -1.172  1.00  0.00           S  
HETATM   11  C   UNL     1       0.321  -0.049  -0.741  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.187  -1.324  -0.573  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.515  -1.501  -0.235  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.373  -3.730   0.463  1.00  0.00           O1-
HETATM   15  O   UNL     1      -3.191  -3.124  -0.421  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.681  -0.572   0.283  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.068   2.087  -0.982  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.826   0.883  -0.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.498   1.053  -0.572  1.00  0.00           C  
HETATM   20 CL   UNL     1       2.612  -1.236   1.354  1.00  0.00          Cl  
HETATM   21 BR   UNL     1       4.801   0.535   0.108  1.00  0.00          Br  
HETATM   22 CL   UNL     1       2.231   1.684   1.356  1.00  0.00          Cl  
HETATM   23  O   UNL     1       2.045   1.424  -1.844  1.00  0.00           O  
HETATM   24  H   UNL     1      -4.028   1.452   0.711  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.287  -0.589   0.936  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.343   0.069   2.294  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.498   1.269   2.045  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.123   2.354   1.730  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.776   0.914  -0.394  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.893   2.642   0.018  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.306   1.096  -1.728  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.681   0.011  -1.413  1.00  0.00           H  
HETATM   33  H   UNL     1       0.454  -2.182  -0.706  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.019  -1.460   0.482  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.461   2.297  -1.977  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.517   2.954  -0.619  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.465   1.744  -0.102  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.098   2.047  -0.704  1.00  0.00           H  
CONECT    1   15   15   14   13                                       
CONECT    2   16   13   13   18                                       
CONECT    3    4    7   16   24                                       
CONECT    4    5    3   25   26                                       
CONECT    5    6    4   27   28                                       
CONECT    6    5   17   29   30                                       
CONECT    7   17    3   31   32                                       
CONECT    8   21   10   22   20                                       
CONECT    9   10   10                                                 
CONECT   10   23   23   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12   12   19   10                                       
CONECT   12   13   11   11   33                                       
CONECT   13    1    2    2   12                                       
CONECT   14    1                                                      
CONECT   15    1    1                                                 
CONECT   16    3    2   34                                            
CONECT   17    6    7   35   36                                       
CONECT   18    2   19   19   37                                       
CONECT   19   18   18   11   38                                       
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    8                                                      
CONECT   23   10   10                                                 
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   12                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
