COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.698  -3.106   0.663  1.00  0.00           C  
HETATM    2  C   UNL     1       5.311  -2.533   0.529  1.00  0.00           C  
HETATM    3  C   UNL     1       4.580  -2.433  -0.607  1.00  0.00           C  
HETATM    4  C   UNL     1       3.372  -1.832  -0.185  1.00  0.00           C  
HETATM    5  C   UNL     1       2.187  -1.485  -1.049  1.00  0.00           C  
HETATM    6  N   UNL     1       1.205  -2.577  -0.995  1.00  0.00           N  
HETATM    7  C   UNL     1       0.151  -2.387  -2.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.644  -1.122  -1.670  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.221  -1.246  -0.324  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.012  -0.142  -0.016  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.374  -0.285   0.242  1.00  0.00           C  
HETATM   12 BR   UNL     1      -4.183  -1.993   0.178  1.00  0.00          Br  
HETATM   13  C   UNL     1      -4.129   0.834   0.544  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.590   2.034   0.595  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.291   2.230   0.358  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.515   3.333   0.347  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.277   3.006   0.052  1.00  0.00           C  
HETATM   18  C   UNL     1       0.848   3.949  -0.051  1.00  0.00           C  
HETATM   19  C   UNL     1       0.784   5.310   0.026  1.00  0.00           C  
HETATM   20  N   UNL     1       2.023   5.786  -0.115  1.00  0.00           N  
HETATM   21  C   UNL     1       2.859   4.794  -0.276  1.00  0.00           C  
HETATM   22  N   UNL     1       2.177   3.632  -0.238  1.00  0.00           N  
HETATM   23  C   UNL     1       2.741   2.287  -0.373  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.194   1.654  -0.146  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.462   1.139   0.050  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.166  -1.436   0.682  1.00  0.00           C  
HETATM   27  C   UNL     1       0.629  -2.701   0.351  1.00  0.00           C  
HETATM   28  N   UNL     1       3.486  -1.638   1.097  1.00  0.00           N  
HETATM   29  O   UNL     1       4.554  -2.026   1.512  1.00  0.00           O  
HETATM   30  H   UNL     1       7.433  -2.315   0.518  1.00  0.00           H  
HETATM   31  H   UNL     1       6.818  -3.538   1.656  1.00  0.00           H  
HETATM   32  H   UNL     1       6.845  -3.881  -0.090  1.00  0.00           H  
HETATM   33  H   UNL     1       4.857  -2.741  -1.605  1.00  0.00           H  
HETATM   34  H   UNL     1       1.728  -0.566  -0.684  1.00  0.00           H  
HETATM   35  H   UNL     1       2.516  -1.342  -2.078  1.00  0.00           H  
HETATM   36  H   UNL     1       0.603  -2.285  -2.987  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.517  -3.248  -1.994  1.00  0.00           H  
HETATM   38  H   UNL     1       0.018  -0.257  -1.704  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.445  -0.995  -2.398  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.184   0.721   0.743  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.111   5.897   0.174  1.00  0.00           H  
HETATM   42  H   UNL     1       3.926   4.891  -0.413  1.00  0.00           H  
HETATM   43  H   UNL     1       2.659   1.961  -1.410  1.00  0.00           H  
HETATM   44  H   UNL     1       3.790   2.301  -0.078  1.00  0.00           H  
HETATM   45  H   UNL     1       2.193   1.597   0.269  1.00  0.00           H  
HETATM   46  H   UNL     1       0.604   1.152  -0.375  1.00  0.00           H  
HETATM   47  H   UNL     1       0.502  -0.575   0.675  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.618  -1.538   1.668  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.034  -3.566   0.384  1.00  0.00           H  
HETATM   50  H   UNL     1       1.430  -2.828   1.079  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5   28   28                                       
CONECT    5    4    6   34   35                                       
CONECT    6    5    7   27                                            
CONECT    7    6    8   36   37                                       
CONECT    8    7    9   38   39                                       
CONECT    9    8   10   26                                            
CONECT   10    9   11   11   25                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11                                                      
CONECT   13   11   14   14   40                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   25   25                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   24                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21   21                                            
CONECT   21   20   20   22   42                                       
CONECT   22   18   21   23                                            
CONECT   23   22   43   44   45                                       
CONECT   24   17   25   46                                            
CONECT   25   10   15   15   24                                       
CONECT   26    9   27   47   48                                       
CONECT   27    6   26   49   50                                       
CONECT   28    4    4   29                                            
CONECT   29    2   28                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   13                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
