COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.371  -0.561  -0.940  1.00  0.00           N  
HETATM    2  N   UNL     1       5.054   2.310   0.695  1.00  0.00           N  
HETATM    3  C   UNL     1       2.047  -0.575  -0.090  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.286  -1.277  -0.086  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.338  -2.409   0.942  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.314  -3.461   0.483  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.611  -0.559  -0.110  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.747  -0.183  -1.125  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.903   0.385   0.856  1.00  0.00           C  
HETATM   10  C   UNL     1       3.812   2.547   1.054  1.00  0.00           C  
HETATM   11 BR   UNL     1      -5.708   1.652  -0.180  1.00  0.00          Br  
HETATM   12  C   UNL     1      -4.042   0.758  -0.154  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.532  -0.842  -1.102  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.118   1.044   0.834  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.625  -4.486   1.291  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.817  -3.381  -0.613  1.00  0.00           O  
HETATM   17  N   UNL     1       0.774  -0.334   0.279  1.00  0.00           N  
HETATM   18  O   UNL     1       2.332  -1.618  -0.646  1.00  0.00           O  
HETATM   19  C   UNL     1       3.099   0.429   0.181  1.00  0.00           C  
HETATM   20  C   UNL     1       2.798   1.632   0.817  1.00  0.00           C  
HETATM   21  C   UNL     1       5.406   1.186   0.087  1.00  0.00           C  
HETATM   22  N   UNL     1       6.600   0.702  -0.381  1.00  0.00           N  
HETATM   23  C   UNL     1       7.893   1.387  -0.308  1.00  0.00           C  
HETATM   24  C   UNL     1       4.440   0.199  -0.194  1.00  0.00           C  
HETATM   25  C   UNL     1       5.109  -0.865  -0.836  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.080  -1.692  -1.073  1.00  0.00           H  
HETATM   27  H   UNL     1       0.653  -2.852   1.044  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.659  -2.011   1.905  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.468  -0.407  -1.897  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.181   0.609   1.628  1.00  0.00           H  
HETATM   31  H   UNL     1       3.575   3.479   1.547  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.302  -1.577  -1.859  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.346   1.781   1.590  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.257  -5.136   0.953  1.00  0.00           H  
HETATM   35  H   UNL     1       0.559   0.465   0.786  1.00  0.00           H  
HETATM   36  H   UNL     1       1.785   1.849   1.122  1.00  0.00           H  
HETATM   37  H   UNL     1       8.034   1.994  -1.203  1.00  0.00           H  
HETATM   38  H   UNL     1       7.916   2.028   0.573  1.00  0.00           H  
HETATM   39  H   UNL     1       8.692   0.649  -0.241  1.00  0.00           H  
HETATM   40  H   UNL     1       4.650  -1.780  -1.184  1.00  0.00           H  
CONECT    1   22   25   25                                            
CONECT    2   10   21   21                                            
CONECT    3   19   18   18   17                                       
CONECT    4   17    5    7   26                                       
CONECT    5    4    6   27   28                                       
CONECT    6    5   16   16   15                                       
CONECT    7    4   13   13    9                                       
CONECT    8   13   12   12   29                                       
CONECT    9   14   14    7   30                                       
CONECT   10   20   20    2   31                                       
CONECT   11   12                                                      
CONECT   12    8    8   11   14                                       
CONECT   13    7    7    8   32                                       
CONECT   14   12    9    9   33                                       
CONECT   15    6   34                                                 
CONECT   16    6    6                                                 
CONECT   17    3    4   35                                            
CONECT   18    3    3                                                 
CONECT   19   24   24    3   20                                       
CONECT   20   19   10   10   36                                       
CONECT   21    2    2   24   22                                       
CONECT   22   23    1   21                                            
CONECT   23   22   37   38   39                                       
CONECT   24   25   19   19   21                                       
CONECT   25    1    1   24   40                                       
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
