COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.982  -1.727  -1.478  1.00  0.00           N  
HETATM    2  N   UNL     1       1.123  -0.110   1.117  1.00  0.00           N  
HETATM    3  C   UNL     1       4.152   1.008  -0.674  1.00  0.00           C  
HETATM    4  C   UNL     1       4.245   2.306  -0.218  1.00  0.00           C  
HETATM    5  C   UNL     1       3.310   2.802   0.677  1.00  0.00           C  
HETATM    6  C   UNL     1       2.275   2.005   1.120  1.00  0.00           C  
HETATM    7  C   UNL     1       2.164   0.695   0.671  1.00  0.00           C  
HETATM    8  C   UNL     1       0.446  -2.356   1.628  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.842  -1.174  -0.533  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.130   0.064   1.614  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.597   2.091   0.429  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.149   2.051  -2.291  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.423   1.028  -1.757  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.134   1.029  -0.390  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.625  -2.841  -0.613  1.00  0.00           C  
HETATM   16  C   UNL     1       1.181  -4.531  -0.999  1.00  0.00           C  
HETATM   17  C   UNL     1       1.376  -6.485   0.371  1.00  0.00           C  
HETATM   18  C   UNL     1       3.875  -3.106  -1.959  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.440  -1.808   0.504  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.848  -1.481   1.016  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.360  -0.035   0.248  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.287   2.069   1.799  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.338   3.132  -0.150  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.609   3.099  -1.490  1.00  0.00           C  
HETATM   25  C   UNL     1       2.996  -1.196  -0.728  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.153  -3.067  -0.684  1.00  0.00           C  
HETATM   27  C   UNL     1       0.083  -4.125  -0.263  1.00  0.00           C  
HETATM   28  C   UNL     1       1.827  -5.711  -0.682  1.00  0.00           C  
HETATM   29  C   UNL     1       0.285  -6.073   1.113  1.00  0.00           C  
HETATM   30  C   UNL     1       3.106   0.190  -0.239  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.365  -4.896   0.793  1.00  0.00           C  
HETATM   32  C   UNL     1       0.265  -0.549  -0.017  1.00  0.00           C  
HETATM   33  C   UNL     1       1.640  -1.376   1.699  1.00  0.00           C  
HETATM   34  N   UNL     1       1.282   2.545   2.076  1.00  0.00           N1+
HETATM   35  N   UNL     1      -2.742  -1.832  -0.116  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.593   1.084   2.317  1.00  0.00           N  
HETATM   37  O   UNL     1       2.015  -1.862  -0.454  1.00  0.00           O  
HETATM   38  O   UNL     1       1.324   3.719   2.399  1.00  0.00           O  
HETATM   39  O   UNL     1       0.423   1.816   2.539  1.00  0.00           O1-
HETATM   40  O   UNL     1      -4.407  -1.520  -1.552  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.331   4.105  -2.052  1.00  0.00           O  
HETATM   42 BR   UNL     1       5.657   3.413  -0.814  1.00  0.00          Br  
HETATM   43  H   UNL     1       4.764  -1.196  -1.697  1.00  0.00           H  
HETATM   44  H   UNL     1       4.883   0.626  -1.371  1.00  0.00           H  
HETATM   45  H   UNL     1       3.391   3.820   1.028  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.098  -2.360   2.573  1.00  0.00           H  
HETATM   47  H   UNL     1       0.792  -3.360   1.384  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.566  -0.710   2.114  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.372   2.050  -3.348  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.074   0.222  -2.386  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.254  -2.449  -1.559  1.00  0.00           H  
HETATM   52  H   UNL     1       1.531  -3.929  -1.824  1.00  0.00           H  
HETATM   53  H   UNL     1       1.883  -7.405   0.621  1.00  0.00           H  
HETATM   54  H   UNL     1       4.760  -3.356  -2.544  1.00  0.00           H  
HETATM   55  H   UNL     1       3.799  -3.783  -1.108  1.00  0.00           H  
HETATM   56  H   UNL     1       2.987  -3.206  -2.583  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.086  -2.087   1.890  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.931  -0.421   1.254  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.632   2.870   2.436  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.692   3.952   0.457  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.470  -3.198  -1.719  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.437  -3.934  -0.087  1.00  0.00           H  
HETATM   63  H   UNL     1       2.685  -6.028  -1.256  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.060  -6.671   1.944  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.222  -4.578   1.368  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.466   0.223  -0.262  1.00  0.00           H  
HETATM   67  H   UNL     1       0.876  -0.786  -0.888  1.00  0.00           H  
HETATM   68  H   UNL     1       2.476  -1.753   1.109  1.00  0.00           H  
HETATM   69  H   UNL     1       1.945  -1.222   2.734  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.285   3.948  -2.057  1.00  0.00           H  
CONECT    1   18   25   43                                            
CONECT    2   33    7   32                                            
CONECT    3   30   30    4   44                                       
CONECT    4    5    5    3   42                                       
CONECT    5    6    4    4   45                                       
CONECT    6   34    7    7    5                                       
CONECT    7    2    6    6   30                                       
CONECT    8   33   19   46   47                                       
CONECT    9   35   40   40   21                                       
CONECT   10   21   36   36   48                                       
CONECT   11   14   23   22   22                                       
CONECT   12   13   13   24   49                                       
CONECT   13   12   12   14   50                                       
CONECT   14   13   21   21   11                                       
CONECT   15   27   26   19   51                                       
CONECT   16   28   27   27   52                                       
CONECT   17   28   28   29   53                                       
CONECT   18    1   54   55   56                                       
CONECT   19    8   15   32   20                                       
CONECT   20   19   35   57   58                                       
CONECT   21    9   14   14   10                                       
CONECT   22   11   11   36   59                                       
CONECT   23   24   24   11   60                                       
CONECT   24   12   41   23   23                                       
CONECT   25    1   30   37   37                                       
CONECT   26   15   35   61   62                                       
CONECT   27   16   16   31   15                                       
CONECT   28   17   17   16   63                                       
CONECT   29   17   31   31   64                                       
CONECT   30    7   25    3    3                                       
CONECT   31   29   29   27   65                                       
CONECT   32   19    2   66   67                                       
CONECT   33    8    2   68   69                                       
CONECT   34   39    6   38   38                                       
CONECT   35   26   20    9                                            
CONECT   36   10   10   22                                            
CONECT   37   25   25                                                 
CONECT   38   34   34                                                 
CONECT   39   34                                                      
CONECT   40    9    9                                                 
CONECT   41   24   70                                                 
CONECT   42    4                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   41                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
