COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.308  -3.063  -0.851  1.00  0.00           C  
HETATM    2  C   UNL     1       0.425  -3.880   0.205  1.00  0.00           C  
HETATM    3  C   UNL     1       1.906  -4.767  -1.495  1.00  0.00           C  
HETATM    4  C   UNL     1       0.987  -3.662  -2.061  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.392  -1.764  -0.836  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.124  -3.603   1.546  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.610   1.679  -0.017  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.524   0.499  -0.131  1.00  0.00           C  
HETATM    9  C   UNL     1       0.165   1.718  -0.036  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.554   2.909   0.080  1.00  0.00           C  
HETATM   11  C   UNL     1       1.640   1.741  -0.057  1.00  0.00           C  
HETATM   12  C   UNL     1       3.673   2.346  -0.037  1.00  0.00           C  
HETATM   13  C   UNL     1       4.930   3.176   0.011  1.00  0.00           C  
HETATM   14  C   UNL     1       5.913   2.904   1.151  1.00  0.00           C  
HETATM   15  C   UNL     1       6.255   2.468  -0.275  1.00  0.00           C  
HETATM   16  C   UNL     1       1.196  -5.124  -0.169  1.00  0.00           C  
HETATM   17  N   UNL     1       0.182  -0.696  -0.247  1.00  0.00           N  
HETATM   18  O   UNL     1      -1.486  -1.656  -1.355  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.809  -2.618   1.730  1.00  0.00           O  
HETATM   20  O   UNL     1       0.135  -4.444   2.567  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.932   2.884   0.083  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.911   0.491  -0.121  1.00  0.00           C  
HETATM   23  N   UNL     1       2.415   2.809   0.023  1.00  0.00           N  
HETATM   24  N   UNL     1       3.612   1.051  -0.145  1.00  0.00           N  
HETATM   25  O   UNL     1       2.457   0.680  -0.157  1.00  0.00           O  
HETATM   26 BR   UNL     1      -4.501   1.659  -0.003  1.00  0.00          Br  
HETATM   27  H   UNL     1       1.938  -5.628  -2.164  1.00  0.00           H  
HETATM   28  H   UNL     1       2.909  -4.383  -1.309  1.00  0.00           H  
HETATM   29  H   UNL     1       0.248  -4.092  -2.736  1.00  0.00           H  
HETATM   30  H   UNL     1       1.578  -2.905  -2.577  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.031   3.851   0.154  1.00  0.00           H  
HETATM   32  H   UNL     1       4.826   4.207  -0.328  1.00  0.00           H  
HETATM   33  H   UNL     1       6.456   3.755   1.562  1.00  0.00           H  
HETATM   34  H   UNL     1       5.651   2.124   1.867  1.00  0.00           H  
HETATM   35  H   UNL     1       6.219   1.402  -0.498  1.00  0.00           H  
HETATM   36  H   UNL     1       7.024   3.033  -0.802  1.00  0.00           H  
HETATM   37  H   UNL     1       1.929  -5.362   0.601  1.00  0.00           H  
HETATM   38  H   UNL     1       0.515  -5.962  -0.318  1.00  0.00           H  
HETATM   39  H   UNL     1       1.087  -0.760   0.097  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.246  -4.221   3.427  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.487   3.807   0.163  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.446  -0.445  -0.194  1.00  0.00           H  
CONECT    1    2    2    4    5                                       
CONECT    2    1    1   16    6                                       
CONECT    3   16    4   27   28                                       
CONECT    4    1    3   29   30                                       
CONECT    5    1   17   18   18                                       
CONECT    6    2   19   19   20                                       
CONECT    7   21   21   22   26                                       
CONECT    8   17   22   22    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10   21    9    9   31                                       
CONECT   11    9   23   23   25                                       
CONECT   12   23   24   24   13                                       
CONECT   13   12   14   15   32                                       
CONECT   14   13   15   33   34                                       
CONECT   15   13   14   35   36                                       
CONECT   16    2    3   37   38                                       
CONECT   17    5    8   39                                            
CONECT   18    5    5                                                 
CONECT   19    6    6                                                 
CONECT   20    6   40                                                 
CONECT   21    7    7   10   41                                       
CONECT   22    7    8    8   42                                       
CONECT   23   11   11   12                                            
CONECT   24   12   12   25                                            
CONECT   25   11   24                                                 
CONECT   26    7                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
