COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.030   3.346  -0.101  1.00  0.00           C  
HETATM    2  N   UNL     1       1.145  -0.554  -0.864  1.00  0.00           N  
HETATM    3  O   UNL     1       2.545  -2.543   0.703  1.00  0.00           O  
HETATM    4  C   UNL     1       1.294   3.163  -0.470  1.00  0.00           C  
HETATM    5  N   UNL     1       5.385  -2.381   0.755  1.00  0.00           N  
HETATM    6  C   UNL     1       1.778   1.902  -0.744  1.00  0.00           C  
HETATM    7  C   UNL     1       0.936   0.798  -0.652  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.404   0.985  -0.279  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.880   2.264  -0.005  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.026  -0.352  -0.272  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.025  -1.260  -0.645  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.328  -2.616  -0.720  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.603  -3.055  -0.437  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.594  -2.156  -0.071  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.311  -0.808   0.012  1.00  0.00           C  
HETATM   16  C   UNL     1       2.421  -1.150  -1.268  1.00  0.00           C  
HETATM   17  C   UNL     1       3.229  -1.519  -0.022  1.00  0.00           C  
HETATM   18  C   UNL     1       4.610  -2.026  -0.441  1.00  0.00           C  
HETATM   19  C   UNL     1       6.589  -3.079   0.286  1.00  0.00           C  
HETATM   20  C   UNL     1       5.837  -1.118   1.354  1.00  0.00           C  
HETATM   21 BR   UNL     1      -4.337  -2.779   0.313  1.00  0.00          Br  
HETATM   22 BR   UNL     1      -0.673   5.086   0.270  1.00  0.00          Br  
HETATM   23  H   UNL     1       2.466  -3.302   0.108  1.00  0.00           H  
HETATM   24  H   UNL     1       1.953   4.016  -0.544  1.00  0.00           H  
HETATM   25  H   UNL     1       2.811   1.770  -1.031  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.910   2.409   0.283  1.00  0.00           H  
HETATM   27  H   UNL     1       0.436  -3.325  -1.003  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.833  -4.108  -0.500  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.084  -0.109   0.297  1.00  0.00           H  
HETATM   30  H   UNL     1       2.983  -0.434  -1.867  1.00  0.00           H  
HETATM   31  H   UNL     1       2.232  -2.048  -1.857  1.00  0.00           H  
HETATM   32  H   UNL     1       3.342  -0.639   0.611  1.00  0.00           H  
HETATM   33  H   UNL     1       5.131  -1.245  -0.994  1.00  0.00           H  
HETATM   34  H   UNL     1       4.497  -2.906  -1.075  1.00  0.00           H  
HETATM   35  H   UNL     1       7.201  -3.364   1.142  1.00  0.00           H  
HETATM   36  H   UNL     1       6.299  -3.973  -0.267  1.00  0.00           H  
HETATM   37  H   UNL     1       7.162  -2.420  -0.366  1.00  0.00           H  
HETATM   38  H   UNL     1       4.975  -0.560   1.719  1.00  0.00           H  
HETATM   39  H   UNL     1       6.510  -1.330   2.185  1.00  0.00           H  
HETATM   40  H   UNL     1       6.361  -0.526   0.604  1.00  0.00           H  
CONECT    1    4    4    9   22                                       
CONECT    2    7   11   16                                            
CONECT    3   17   23                                                 
CONECT    4    1    1    6   24                                       
CONECT    5   18   19   20                                            
CONECT    6    4    7    7   25                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    1    8    8   26                                       
CONECT   10    8   11   11   15                                       
CONECT   11    2   10   10   12                                       
CONECT   12   11   13   13   27                                       
CONECT   13   12   12   14   28                                       
CONECT   14   13   15   15   21                                       
CONECT   15   10   14   14   29                                       
CONECT   16    2   17   30   31                                       
CONECT   17    3   16   18   32                                       
CONECT   18    5   17   33   34                                       
CONECT   19    5   35   36   37                                       
CONECT   20    5   38   39   40                                       
CONECT   21   14                                                      
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    9                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
