COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.604  -0.318   1.062  1.00  0.00           N  
HETATM    2  C   UNL     1       3.555  -0.405  -1.161  1.00  0.00           C  
HETATM    3  C   UNL     1       3.633  -0.007   0.167  1.00  0.00           C  
HETATM    4  C   UNL     1       1.355  -0.539   0.605  1.00  0.00           C  
HETATM    5  C   UNL     1       0.276  -0.998   1.551  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.016  -1.169   0.794  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.511  -2.548  -0.470  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.891  -0.106   0.670  1.00  0.00           C  
HETATM    9 BR   UNL     1      -4.273   1.190  -0.196  1.00  0.00          Br  
HETATM   10  C   UNL     1      -3.076  -0.264  -0.025  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.386  -1.486  -0.595  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.323  -2.388   0.219  1.00  0.00           C  
HETATM   13  O   UNL     1       1.101  -0.368  -0.569  1.00  0.00           O  
HETATM   14  C   UNL     1       4.750   0.706   0.594  1.00  0.00           C  
HETATM   15  C   UNL     1       4.877   1.157   2.026  1.00  0.00           C  
HETATM   16  N   UNL     1       4.524  -0.118  -2.007  1.00  0.00           N  
HETATM   17  C   UNL     1       5.597   0.551  -1.633  1.00  0.00           C  
HETATM   18  C   UNL     1       5.742   0.990  -0.330  1.00  0.00           C  
HETATM   19  H   UNL     1       2.790  -0.379   2.013  1.00  0.00           H  
HETATM   20  H   UNL     1       2.693  -0.959  -1.504  1.00  0.00           H  
HETATM   21  H   UNL     1       0.565  -1.949   1.998  1.00  0.00           H  
HETATM   22  H   UNL     1       0.141  -0.254   2.336  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.752  -3.502  -0.916  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.649   0.847   1.116  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.311  -1.609  -1.138  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.637  -3.217   0.312  1.00  0.00           H  
HETATM   27  H   UNL     1       5.380   0.384   2.607  1.00  0.00           H  
HETATM   28  H   UNL     1       5.458   2.079   2.067  1.00  0.00           H  
HETATM   29  H   UNL     1       3.885   1.335   2.440  1.00  0.00           H  
HETATM   30  H   UNL     1       6.370   0.766  -2.357  1.00  0.00           H  
HETATM   31  H   UNL     1       6.625   1.538  -0.033  1.00  0.00           H  
CONECT    1    3    4   19                                            
CONECT    2   16    3    3   20                                       
CONECT    3    2    2   14    1                                       
CONECT    4    1   13   13    5                                       
CONECT    5    4    6   21   22                                       
CONECT    6    8    5   12   12                                       
CONECT    7   11   11   12   23                                       
CONECT    8   10   10    6   24                                       
CONECT    9   10                                                      
CONECT   10    9    8    8   11                                       
CONECT   11   10    7    7   25                                       
CONECT   12    6    6    7   26                                       
CONECT   13    4    4                                                 
CONECT   14   18   18    3   15                                       
CONECT   15   14   27   28   29                                       
CONECT   16   17   17    2                                            
CONECT   17   16   16   18   30                                       
CONECT   18   17   14   14   31                                       
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   15                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
