COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.449   1.857   0.084  1.00  0.00           C  
HETATM    2  C   UNL     1       3.549   1.253  -1.121  1.00  0.00           C  
HETATM    3  C   UNL     1       3.758  -0.936  -0.478  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.593   0.890  -0.218  1.00  0.00           C  
HETATM    5  C   UNL     1       2.771   1.328  -0.039  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.398  -0.948   0.756  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.484  -0.669   0.032  1.00  0.00           C  
HETATM    8  C   UNL     1       4.090   0.003  -1.364  1.00  0.00           C  
HETATM    9  C   UNL     1       4.216  -2.371  -0.519  1.00  0.00           C  
HETATM   10  C   UNL     1       4.988  -0.276  -2.543  1.00  0.00           C  
HETATM   11  C   UNL     1       5.523  -2.512   0.264  1.00  0.00           C  
HETATM   12  C   UNL     1       7.176  -4.115   0.930  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.401  -0.095   0.601  1.00  0.00           N  
HETATM   14  N   UNL     1       0.458   2.811  -0.202  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.659   1.878  -0.509  1.00  0.00           N  
HETATM   16  O   UNL     1       1.714   2.599   1.911  1.00  0.00           O  
HETATM   17  O   UNL     1       2.673   3.883  -0.007  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.175   0.974   0.874  1.00  0.00           O  
HETATM   19  O   UNL     1       5.957  -3.873   0.224  1.00  0.00           O  
HETATM   20  S   UNL     1       1.947   2.781   0.521  1.00  0.00           S  
HETATM   21  S   UNL     1      -4.160   0.794  -0.895  1.00  0.00           S  
HETATM   22  S   UNL     1       2.694  -0.246   0.742  1.00  0.00           S  
HETATM   23 BR   UNL     1      -6.088  -1.669   0.005  1.00  0.00          Br  
HETATM   24  H   UNL     1       3.737   2.103  -1.760  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.339  -1.802   1.415  1.00  0.00           H  
HETATM   26  H   UNL     1       3.453  -3.009  -0.072  1.00  0.00           H  
HETATM   27  H   UNL     1       4.378  -2.671  -1.555  1.00  0.00           H  
HETATM   28  H   UNL     1       6.025  -0.098  -2.259  1.00  0.00           H  
HETATM   29  H   UNL     1       4.869  -1.314  -2.852  1.00  0.00           H  
HETATM   30  H   UNL     1       4.719   0.383  -3.368  1.00  0.00           H  
HETATM   31  H   UNL     1       6.285  -1.875  -0.184  1.00  0.00           H  
HETATM   32  H   UNL     1       5.360  -2.213   1.299  1.00  0.00           H  
HETATM   33  H   UNL     1       7.437  -5.170   0.852  1.00  0.00           H  
HETATM   34  H   UNL     1       7.973  -3.510   0.496  1.00  0.00           H  
HETATM   35  H   UNL     1       7.048  -3.849   1.979  1.00  0.00           H  
HETATM   36  H   UNL     1       0.239   3.515  -0.832  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.878   2.582  -1.139  1.00  0.00           H  
CONECT    1   14   15   18   18                                       
CONECT    2    5    5    8   24                                       
CONECT    3   22    9    8    8                                       
CONECT    4   15   13   13   21                                       
CONECT    5   20   22    2    2                                       
CONECT    6   13    7    7   25                                       
CONECT    7    6    6   21   23                                       
CONECT    8    3    3    2   10                                       
CONECT    9   11    3   26   27                                       
CONECT   10    8   28   29   30                                       
CONECT   11   19    9   31   32                                       
CONECT   12   19   33   34   35                                       
CONECT   13    4    4    6                                            
CONECT   14   20    1   36                                            
CONECT   15    1    4   37                                            
CONECT   16   20   20                                                 
CONECT   17   20   20                                                 
CONECT   18    1    1                                                 
CONECT   19   12   11                                                 
CONECT   20   16   16   14   17                                       
CONECT   20   17    5                                                 
CONECT   21    4    7                                                 
CONECT   22    5    3                                                 
CONECT   23    7                                                      
CONECT   24    2                                                      
CONECT   25    6                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
