COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.179  -1.555  -0.154  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.265  -0.758   0.194  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.085   0.612   0.437  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.807   1.181   0.331  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.972   2.614   0.646  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.990   1.714   0.815  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.615  -1.357   0.307  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.086   3.444   0.660  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.186   1.616   1.003  1.00  0.00           O  
HETATM   10  O   UNL     1       6.062  -3.277   1.419  1.00  0.00           O  
HETATM   11  O   UNL     1       4.145  -0.416  -1.918  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.628  -0.972  -0.572  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.269   2.845   0.917  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.885  -1.535  -0.462  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.139  -2.478   0.518  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.138  -2.863   1.392  1.00  0.00           C  
HETATM   17  C   UNL     1       3.700  -0.711  -0.826  1.00  0.00           C  
HETATM   18  N   UNL     1       4.519  -1.197   0.127  1.00  0.00           N  
HETATM   19  C   UNL     1       5.923  -1.476  -0.186  1.00  0.00           C  
HETATM   20  C   UNL     1       6.627  -2.015   1.061  1.00  0.00           C  
HETATM   21  C   UNL     1       2.266  -0.538  -0.544  1.00  0.00           C  
HETATM   22  C   UNL     1       1.666   0.635  -0.206  1.00  0.00           C  
HETATM   23 BR   UNL     1       2.520   2.311  -0.017  1.00  0.00          Br  
HETATM   24  N   UNL     1       1.317  -1.540  -0.582  1.00  0.00           N  
HETATM   25  C   UNL     1       1.573  -2.945  -0.908  1.00  0.00           C  
HETATM   26  C   UNL     1       0.092  -1.004  -0.263  1.00  0.00           C  
HETATM   27  C   UNL     1       0.287   0.375  -0.020  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.877  -2.312   1.288  1.00  0.00           C  
HETATM   29 CL   UNL     1      -4.311   0.212  -1.802  1.00  0.00          Cl  
HETATM   30  H   UNL     1      -1.323  -2.610  -0.337  1.00  0.00           H  
HETATM   31  H   UNL     1       6.461  -3.679   2.203  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.636   3.711   1.155  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.670  -1.239  -1.141  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.123  -2.915   0.601  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.343  -3.600   2.155  1.00  0.00           H  
HETATM   36  H   UNL     1       4.180  -1.362   1.021  1.00  0.00           H  
HETATM   37  H   UNL     1       5.977  -2.218  -0.983  1.00  0.00           H  
HETATM   38  H   UNL     1       6.412  -0.558  -0.512  1.00  0.00           H  
HETATM   39  H   UNL     1       6.497  -1.312   1.883  1.00  0.00           H  
HETATM   40  H   UNL     1       7.690  -2.139   0.853  1.00  0.00           H  
HETATM   41  H   UNL     1       1.721  -3.510   0.012  1.00  0.00           H  
HETATM   42  H   UNL     1       0.721  -3.353  -1.452  1.00  0.00           H  
HETATM   43  H   UNL     1       2.468  -3.017  -1.527  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.096  -2.618   1.969  1.00  0.00           H  
CONECT    1    2    2   26   30                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   27                                       
CONECT    5    4    8    8   13                                       
CONECT    6    3    9    9   13                                       
CONECT    7    2   12   12   28                                       
CONECT    8    5    5                                                 
CONECT    9    6    6                                                 
CONECT   10   20   31                                                 
CONECT   11   17   17                                                 
CONECT   12    7    7   14   29                                       
CONECT   13    5    6   32                                            
CONECT   14   12   15   15   33                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   28   28   35                                       
CONECT   17   11   11   18   21                                       
CONECT   18   17   19   36                                            
CONECT   19   18   20   37   38                                       
CONECT   20   10   19   39   40                                       
CONECT   21   17   22   22   24                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22                                                      
CONECT   24   21   25   26                                            
CONECT   25   24   41   42   43                                       
CONECT   26    1   24   27   27                                       
CONECT   27    4   22   26   26                                       
CONECT   28    7   16   16   44                                       
CONECT   29   12                                                      
CONECT   30    1                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
