COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.228   2.289   0.032  1.00  0.00           C  
HETATM    2  C   UNL     1       1.612   1.046  -0.051  1.00  0.00           C  
HETATM    3  N   UNL     1       0.261   1.276  -0.116  1.00  0.00           N  
HETATM    4  N   UNL     1       0.063   2.661  -0.072  1.00  0.00           N  
HETATM    5  C   UNL     1       1.231   3.254   0.022  1.00  0.00           C  
HETATM    6  N   UNL     1       2.095  -0.202  -0.075  1.00  0.00           N  
HETATM    7  C   UNL     1       1.283  -1.244  -0.161  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.108  -1.051  -0.230  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.609   0.219  -0.206  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.969   0.436  -0.271  1.00  0.00           N  
HETATM   11  C   UNL     1       1.842  -2.616  -0.185  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.889  -0.700  -0.368  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.307  -0.195  -0.425  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.029  -0.003   0.738  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.270   0.444   0.696  1.00  0.00           N1+
HETATM   16  C   UNL     1      -6.868   0.723  -0.447  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.208   0.555  -1.650  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.903   0.088  -1.645  1.00  0.00           C  
HETATM   19  C   UNL     1       1.579  -3.498   0.862  1.00  0.00           C  
HETATM   20  C   UNL     1       2.101  -4.775   0.834  1.00  0.00           C  
HETATM   21  C   UNL     1       2.884  -5.181  -0.232  1.00  0.00           C  
HETATM   22  C   UNL     1       3.148  -4.311  -1.274  1.00  0.00           C  
HETATM   23  C   UNL     1       2.627  -3.033  -1.260  1.00  0.00           C  
HETATM   24 BR   UNL     1       4.089   2.607   0.147  1.00  0.00          Br  
HETATM   25  C   UNL     1       0.726  -3.056   2.024  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.978   0.627   1.908  1.00  0.00           O1-
HETATM   27  H   UNL     1       1.390   4.321   0.075  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.774  -1.899  -0.301  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.317   1.342  -0.254  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.669  -1.270  -1.270  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.766  -1.341   0.505  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.572  -0.221   1.692  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.885   1.086  -0.442  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.703   0.785  -2.582  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.361  -0.048  -2.569  1.00  0.00           H  
HETATM   36  H   UNL     1       1.898  -5.458   1.645  1.00  0.00           H  
HETATM   37  H   UNL     1       3.291  -6.181  -0.250  1.00  0.00           H  
HETATM   38  H   UNL     1       3.761  -4.633  -2.104  1.00  0.00           H  
HETATM   39  H   UNL     1       2.834  -2.355  -2.074  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.326  -3.195   1.776  1.00  0.00           H  
HETATM   41  H   UNL     1       0.973  -3.652   2.903  1.00  0.00           H  
HETATM   42  H   UNL     1       0.914  -2.003   2.234  1.00  0.00           H  
CONECT    1    5    2    2   24                                       
CONECT    2    3    1    1    6                                       
CONECT    3    4    9    2                                            
CONECT    4    5    5    3                                            
CONECT    5    4    4    1   27                                       
CONECT    6    2    7    7                                            
CONECT    7    8    6    6   11                                       
CONECT    8    9    9    7   28                                       
CONECT    9   10    3    8    8                                       
CONECT   10   12    9   29                                            
CONECT   11    7   23   19   19                                       
CONECT   12   13   10   30   31                                       
CONECT   13   14   14   18   12                                       
CONECT   14   15   13   13   32                                       
CONECT   15   26   16   16   14                                       
CONECT   16   15   15   17   33                                       
CONECT   17   16   18   18   34                                       
CONECT   18   17   17   13   35                                       
CONECT   19   11   11   20   25                                       
CONECT   20   21   21   19   36                                       
CONECT   21   22   20   20   37                                       
CONECT   22   23   23   21   38                                       
CONECT   23   22   22   11   39                                       
CONECT   24    1                                                      
CONECT   25   19   40   41   42                                       
CONECT   26   15                                                      
CONECT   27    5                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
