COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.943   2.686  -1.442  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.255   1.350  -1.040  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.774   1.195  -0.808  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.448   2.430  -1.060  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.889   0.810   0.683  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.013  -0.208   0.885  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.185  -0.470   2.321  1.00  0.00           N  
HETATM    8  O   UNL     1      -1.612   0.222   1.012  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.631   1.041   0.339  1.00  0.00           C  
HETATM   10  N   UNL     1       0.624   0.303   0.177  1.00  0.00           N  
HETATM   11  C   UNL     1       0.750  -1.012  -0.159  1.00  0.00           C  
HETATM   12 BR   UNL     1      -0.692  -2.189  -0.496  1.00  0.00          Br  
HETATM   13  N   UNL     1       2.010  -1.338  -0.215  1.00  0.00           N  
HETATM   14  C   UNL     1       2.769  -0.256   0.082  1.00  0.00           C  
HETATM   15  C   UNL     1       1.890   0.811   0.331  1.00  0.00           C  
HETATM   16  N   UNL     1       2.391   2.001   0.648  1.00  0.00           N  
HETATM   17  C   UNL     1       3.693   2.180   0.729  1.00  0.00           C  
HETATM   18  N   UNL     1       4.558   1.208   0.503  1.00  0.00           N  
HETATM   19  C   UNL     1       4.150  -0.014   0.176  1.00  0.00           C  
HETATM   20  N   UNL     1       5.064  -1.026  -0.059  1.00  0.00           N  
HETATM   21  H   UNL     1      -1.310   2.933  -2.302  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.905   0.637  -1.786  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.178   0.405  -1.441  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.357   2.750  -1.968  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.068   1.697   1.291  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.942   0.189   0.475  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.758  -1.137   0.375  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.358   0.386   2.826  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.922  -1.140   2.480  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.462   1.963   0.895  1.00  0.00           H  
HETATM   31  H   UNL     1       4.067   3.159   0.989  1.00  0.00           H  
HETATM   32  H   UNL     1       6.015  -0.848   0.015  1.00  0.00           H  
HETATM   33  H   UNL     1       4.754  -1.914  -0.297  1.00  0.00           H  
CONECT    1    2   21                                                 
CONECT    2    1    9    3   22                                       
CONECT    3    2    4    5   23                                       
CONECT    4    3   24                                                 
CONECT    5    3    8    6   25                                       
CONECT    6    5    7   26   27                                       
CONECT    7    6   28   29                                            
CONECT    8    9    5                                                 
CONECT    9   10    2    8   30                                       
CONECT   10   11   15    9                                            
CONECT   11   13   13   12   10                                       
CONECT   12   11                                                      
CONECT   13   14   11   11                                            
CONECT   14   19   13   15   15                                       
CONECT   15   14   14   16   10                                       
CONECT   16   17   17   15                                            
CONECT   17   18   16   16   31                                       
CONECT   18   19   19   17                                            
CONECT   19   20   18   18   14                                       
CONECT   20   19   32   33                                            
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   17                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
