COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.614  -3.424   0.169  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.546   0.213   0.001  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.012  -0.957   0.500  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.669   0.250   0.605  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.965   1.441   0.509  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.601   1.432   0.307  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.921   0.225   0.199  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.250  -1.061  -2.069  1.00  0.00           C  
HETATM    9  C   UNL     1       1.520   1.048  -3.069  1.00  0.00           C  
HETATM   10  C   UNL     1       3.325   0.579  -0.484  1.00  0.00           C  
HETATM   11  C   UNL     1       4.068  -1.648   0.361  1.00  0.00           C  
HETATM   12  C   UNL     1       7.712  -0.186   1.773  1.00  0.00           C  
HETATM   13  C   UNL     1       8.021   1.133   1.628  1.00  0.00           C  
HETATM   14  C   UNL     1       7.137   2.016   1.013  1.00  0.00           C  
HETATM   15  C   UNL     1       5.585   0.239   0.667  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.907  -4.703   0.062  1.00  0.00           C  
HETATM   17  C   UNL     1       0.090  -0.942  -3.556  1.00  0.00           C  
HETATM   18  C   UNL     1       1.488  -0.340  -3.713  1.00  0.00           C  
HETATM   19  C   UNL     1       1.179   0.929  -1.583  1.00  0.00           C  
HETATM   20  C   UNL     1       4.313  -0.293   0.179  1.00  0.00           C  
HETATM   21  C   UNL     1       6.105  -2.011   1.417  1.00  0.00           C  
HETATM   22  C   UNL     1       6.483  -0.664   1.293  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.918  -2.270   0.200  1.00  0.00           C  
HETATM   24  C   UNL     1       5.934   1.585   0.536  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.629  -0.983   0.301  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.219   0.327  -1.426  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.860   2.709   0.205  1.00  0.00           N1+
HETATM   28  N   UNL     1       2.160   0.064  -0.924  1.00  0.00           N  
HETATM   29  N   UNL     1       4.950  -2.431   0.959  1.00  0.00           N  
HETATM   30  O   UNL     1      -0.703  -2.292   0.145  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.466   3.766   0.196  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.644   2.704   0.130  1.00  0.00           O1-
HETATM   33  O   UNL     1       3.562   1.762  -0.632  1.00  0.00           O  
HETATM   34 BR   UNL     1      -6.539   0.282   0.881  1.00  0.00          Br  
HETATM   35  H   UNL     1      -3.583  -3.407   0.213  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.130  -0.614   0.403  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.564  -1.882   0.575  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.489   2.382   0.593  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.246  -1.490  -1.958  1.00  0.00           H  
HETATM   40  H   UNL     1       0.480  -1.705  -1.580  1.00  0.00           H  
HETATM   41  H   UNL     1       2.516   1.477  -3.181  1.00  0.00           H  
HETATM   42  H   UNL     1       0.790   1.692  -3.559  1.00  0.00           H  
HETATM   43  H   UNL     1       3.137  -2.069   0.012  1.00  0.00           H  
HETATM   44  H   UNL     1       8.408  -0.859   2.252  1.00  0.00           H  
HETATM   45  H   UNL     1       8.967   1.500   1.998  1.00  0.00           H  
HETATM   46  H   UNL     1       7.408   3.057   0.913  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.631  -5.518   0.047  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.322  -4.720  -0.857  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.243  -4.824   0.918  1.00  0.00           H  
HETATM   50  H   UNL     1       0.068  -1.931  -4.014  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.640  -0.298  -4.046  1.00  0.00           H  
HETATM   52  H   UNL     1       1.731  -0.255  -4.772  1.00  0.00           H  
HETATM   53  H   UNL     1       2.218  -0.984  -3.223  1.00  0.00           H  
HETATM   54  H   UNL     1       1.202   1.918  -1.125  1.00  0.00           H  
HETATM   55  H   UNL     1       6.775  -2.710   1.895  1.00  0.00           H  
HETATM   56  H   UNL     1       5.256   2.279   0.061  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.949   0.971  -1.916  1.00  0.00           H  
HETATM   58  H   UNL     1       1.972  -0.881  -0.805  1.00  0.00           H  
CONECT    1   16   23   35                                            
CONECT    2   26    7   36                                            
CONECT    3   25    4    4   37                                       
CONECT    4    3    3    5   34                                       
CONECT    5    6    6    4   38                                       
CONECT    6    7   27    5    5                                       
CONECT    7    2   25   25    6                                       
CONECT    8   17   26   39   40                                       
CONECT    9   19   18   41   42                                       
CONECT   10   33   33   20   28                                       
CONECT   11   20   20   29   43                                       
CONECT   12   13   22   22   44                                       
CONECT   13   14   14   12   45                                       
CONECT   14   13   13   24   46                                       
CONECT   15   24   24   22   20                                       
CONECT   16    1   47   48   49                                       
CONECT   17   18    8   50   51                                       
CONECT   18    9   17   52   53                                       
CONECT   19    9   28   26   54                                       
CONECT   20   15   10   11   11                                       
CONECT   21   22   29   29   55                                       
CONECT   22   12   12   15   21                                       
CONECT   23   30   30    1   25                                       
CONECT   24   14   15   15   56                                       
CONECT   25   23    7    7    3                                       
CONECT   26   19    8    2   57                                       
CONECT   27   32    6   31   31                                       
CONECT   28   10   19   58                                            
CONECT   29   21   21   11                                            
CONECT   30   23   23                                                 
CONECT   31   27   27                                                 
CONECT   32   27                                                      
CONECT   33   10   10                                                 
CONECT   34    4                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
