COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.451  -4.135   0.578  1.00  0.00           N1+
HETATM    2  C   UNL     1       3.386  -4.640   1.184  1.00  0.00           C  
HETATM    3  N   UNL     1       3.562  -5.564   2.199  1.00  0.00           N  
HETATM    4  N   UNL     1       2.157  -4.282   0.843  1.00  0.00           N  
HETATM    5  C   UNL     1       1.956  -3.393  -0.125  1.00  0.00           C  
HETATM    6  N   UNL     1       0.670  -3.020  -0.480  1.00  0.00           N  
HETATM    7  C   UNL     1       3.059  -2.848  -0.786  1.00  0.00           C  
HETATM    8  C   UNL     1       4.323  -3.249  -0.398  1.00  0.00           C  
HETATM    9  C   UNL     1       2.875  -1.841  -1.892  1.00  0.00           C  
HETATM   10  C   UNL     1       2.733  -0.463  -1.298  1.00  0.00           C  
HETATM   11  C   UNL     1       1.481   0.018  -0.965  1.00  0.00           C  
HETATM   12  C   UNL     1       1.347   1.286  -0.419  1.00  0.00           C  
HETATM   13  O   UNL     1       0.115   1.759  -0.091  1.00  0.00           O  
HETATM   14  C   UNL     1       2.471   2.069  -0.202  1.00  0.00           C  
HETATM   15 BR   UNL     1       2.293   3.798   0.542  1.00  0.00          Br  
HETATM   16  C   UNL     1       3.726   1.585  -0.542  1.00  0.00           C  
HETATM   17  O   UNL     1       4.829   2.352  -0.336  1.00  0.00           O  
HETATM   18  C   UNL     1       3.854   0.316  -1.088  1.00  0.00           C  
HETATM   19  C   UNL     1       5.952   1.585  -0.775  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.823   0.733  -0.423  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.237   1.204  -0.077  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.241   0.106  -0.433  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.655   0.577  -0.087  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.670  -0.468  -0.556  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.088   0.058  -0.324  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.774   0.758   1.404  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.068   1.902   1.886  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.579  -0.232   2.184  1.00  0.00           O1-
HETATM   29  C   UNL     1      -8.087  -0.972  -0.786  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.683  -2.076  -1.279  1.00  0.00           O  
HETATM   31  O   UNL     1      -9.336  -0.738  -0.683  1.00  0.00           O1-
HETATM   32  H   UNL     1       5.337  -4.419   0.854  1.00  0.00           H  
HETATM   33  H   UNL     1       4.456  -5.834   2.459  1.00  0.00           H  
HETATM   34  H   UNL     1       2.790  -5.941   2.651  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.092  -3.408  -0.022  1.00  0.00           H  
HETATM   36  H   UNL     1       0.530  -2.371  -1.188  1.00  0.00           H  
HETATM   37  H   UNL     1       5.197  -2.844  -0.886  1.00  0.00           H  
HETATM   38  H   UNL     1       1.978  -2.086  -2.461  1.00  0.00           H  
HETATM   39  H   UNL     1       3.742  -1.865  -2.552  1.00  0.00           H  
HETATM   40  H   UNL     1       0.606  -0.594  -1.130  1.00  0.00           H  
HETATM   41  H   UNL     1       4.831  -0.063  -1.349  1.00  0.00           H  
HETATM   42  H   UNL     1       6.866   2.162  -0.628  1.00  0.00           H  
HETATM   43  H   UNL     1       6.009   0.662  -0.198  1.00  0.00           H  
HETATM   44  H   UNL     1       5.839   1.347  -1.832  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.762   0.517  -1.490  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.591  -0.168   0.144  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.297   1.421   0.989  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.468   2.106  -0.644  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.181  -0.110  -1.499  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.010  -0.795   0.134  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.854   1.526  -0.585  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.524  -0.664  -1.618  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.527  -1.391   0.007  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.233   0.254   0.739  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.230   0.980  -0.886  1.00  0.00           H  
CONECT    1    2    8    8   32                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   33   34                                            
CONECT    4    2    2    5                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   35   36                                            
CONECT    7    5    5    8    9                                       
CONECT    8    1    1    7   37                                       
CONECT    9    7   10   38   39                                       
CONECT   10    9   11   11   18                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   20                                                 
CONECT   14   12   12   15   16                                       
CONECT   15   14                                                      
CONECT   16   14   17   18   18                                       
CONECT   17   16   19                                                 
CONECT   18   10   16   16   41                                       
CONECT   19   17   42   43   44                                       
CONECT   20   13   21   45   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22   21   23   49   50                                       
CONECT   23   22   24   26   51                                       
CONECT   24   23   25   52   53                                       
CONECT   25   24   29   54   55                                       
CONECT   26   23   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26                                                      
CONECT   29   25   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
