COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.756   0.242   0.238  1.00  0.00           C  
HETATM    2  C   UNL     1       4.451   0.328  -0.421  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.373   1.288   0.100  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.794   1.079   0.553  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.677   0.373  -0.243  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.214   1.588   1.768  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.518   1.396   2.184  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.403   0.695   1.387  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.980   0.176   0.176  1.00  0.00           C  
HETATM   10  C   UNL     1       2.257   1.304  -0.509  1.00  0.00           C  
HETATM   11  C   UNL     1       3.592   1.350  -0.838  1.00  0.00           C  
HETATM   12  N   UNL     1       6.365   1.403  -1.494  1.00  0.00           N  
HETATM   13  C   UNL     1       2.599  -0.777   0.657  1.00  0.00           C  
HETATM   14  C   UNL     1       4.183  -2.793   1.505  1.00  0.00           C  
HETATM   15  O   UNL     1       4.769  -1.737   0.741  1.00  0.00           O  
HETATM   16  C   UNL     1       3.944  -0.741   0.333  1.00  0.00           C  
HETATM   17  O   UNL     1       0.439   0.207   0.563  1.00  0.00           O  
HETATM   18 BR   UNL     1      -5.190  -0.784  -0.915  1.00  0.00          Br  
HETATM   19  C   UNL     1       5.881   0.375  -0.770  1.00  0.00           C  
HETATM   20  O   UNL     1       6.625  -0.515  -0.405  1.00  0.00           O  
HETATM   21  H   UNL     1      -0.340   1.326  -0.989  1.00  0.00           H  
HETATM   22  H   UNL     1       0.004   2.226   0.507  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.348  -0.025  -1.191  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.524   2.136   2.391  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.846   1.794   3.134  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.422   0.544   1.713  1.00  0.00           H  
HETATM   27  H   UNL     1       1.596   2.094  -0.833  1.00  0.00           H  
HETATM   28  H   UNL     1       3.977   2.176  -1.418  1.00  0.00           H  
HETATM   29  H   UNL     1       5.771   2.113  -1.785  1.00  0.00           H  
HETATM   30  H   UNL     1       7.306   1.434  -1.724  1.00  0.00           H  
HETATM   31  H   UNL     1       2.205  -1.599   1.237  1.00  0.00           H  
HETATM   32  H   UNL     1       3.406  -3.280   0.915  1.00  0.00           H  
HETATM   33  H   UNL     1       4.950  -3.522   1.766  1.00  0.00           H  
HETATM   34  H   UNL     1       3.745  -2.384   2.415  1.00  0.00           H  
CONECT    1   10   17   13   13                                       
CONECT    2   11   19   16   16                                       
CONECT    3    4   17   21   22                                       
CONECT    4    5    5    6    3                                       
CONECT    5    9    4    4   23                                       
CONECT    6    7    7    4   24                                       
CONECT    7    8    6    6   25                                       
CONECT    8    9    9    7   26                                       
CONECT    9   18    8    8    5                                       
CONECT   10   11   11    1   27                                       
CONECT   11   10   10    2   28                                       
CONECT   12   19   29   30                                            
CONECT   13    1    1   16   31                                       
CONECT   14   15   32   33   34                                       
CONECT   15   16   14                                                 
CONECT   16    2    2   13   15                                       
CONECT   17    3    1                                                 
CONECT   18    9                                                      
CONECT   19   20   20    2   12                                       
CONECT   20   19   19                                                 
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
