COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.907  -3.681   0.321  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.398  -2.350   0.129  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.544  -1.921   0.802  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.011  -0.637   0.613  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.349   0.225  -0.243  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.213  -0.194  -0.914  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.498   0.752  -1.844  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.908   2.580  -1.914  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.131   3.526  -0.998  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.187   2.739  -0.126  1.00  0.00           C  
HETATM   11  C   UNL     1       0.663   2.767   1.258  1.00  0.00           C  
HETATM   12  C   UNL     1       1.540   0.775   2.355  1.00  0.00           C  
HETATM   13  C   UNL     1       2.716   0.303   1.539  1.00  0.00           C  
HETATM   14  C   UNL     1       2.701  -0.958   0.972  1.00  0.00           C  
HETATM   15  C   UNL     1       3.777  -1.390   0.219  1.00  0.00           C  
HETATM   16  C   UNL     1       4.868  -0.560   0.033  1.00  0.00           C  
HETATM   17  C   UNL     1       4.882   0.702   0.600  1.00  0.00           C  
HETATM   18  C   UNL     1       3.806   1.132   1.353  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.410   0.730   0.891  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.327   1.402   0.052  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.418   0.610  -0.616  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.731  -1.473  -0.729  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.517  -4.737   0.474  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.481   1.501  -1.093  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.186   3.387   0.485  1.00  0.00           N  
HETATM   26  N   UNL     1       0.573   1.441   1.479  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.506  -0.472   1.079  1.00  0.00           O  
HETATM   28 BR   UNL     1       6.340  -1.150  -0.997  1.00  0.00          Br  
HETATM   29  H   UNL     1      -7.062  -2.593   1.470  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.897  -0.304   1.133  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.720   1.229  -0.388  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.016   0.184  -2.640  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.216   1.448  -2.277  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.710   3.128  -2.410  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.236   2.159  -2.661  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.561   4.231  -1.605  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.830   4.076  -0.367  1.00  0.00           H  
HETATM   38  H   UNL     1       1.454   3.330   1.731  1.00  0.00           H  
HETATM   39  H   UNL     1       1.065  -0.080   2.836  1.00  0.00           H  
HETATM   40  H   UNL     1       1.884   1.475   3.116  1.00  0.00           H  
HETATM   41  H   UNL     1       1.850  -1.606   1.118  1.00  0.00           H  
HETATM   42  H   UNL     1       3.766  -2.375  -0.223  1.00  0.00           H  
HETATM   43  H   UNL     1       5.733   1.350   0.454  1.00  0.00           H  
HETATM   44  H   UNL     1       3.814   2.119   1.793  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.000   0.064  -1.461  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.836  -0.098   0.099  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.842  -1.797  -1.250  1.00  0.00           H  
CONECT    1   23   23   23    2                                       
CONECT    2    1    3    3   22                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6   22   22    5    7                                       
CONECT    7    6   24   32   33                                       
CONECT    8   24    9   34   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10   20   20    9   25                                       
CONECT   11   26   25   25   38                                       
CONECT   12   13   26   39   40                                       
CONECT   13   14   14   18   12                                       
CONECT   14   15   13   13   41                                       
CONECT   15   16   16   14   42                                       
CONECT   16   28   15   15   17                                       
CONECT   17   16   18   18   43                                       
CONECT   18   17   17   13   44                                       
CONECT   19   27   27   20   26                                       
CONECT   20   21   19   10   10                                       
CONECT   21   24   20   45   46                                       
CONECT   22    2    6    6   47                                       
CONECT   23    1    1    1                                            
CONECT   24    7   21    8                                            
CONECT   25   10   11   11                                            
CONECT   26   19   12   11                                            
CONECT   27   19   19                                                 
CONECT   28   16                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
