COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.088  -0.039   0.034  1.00  0.00           C  
HETATM    2  C   UNL     1       4.670  -1.350   0.187  1.00  0.00           C  
HETATM    3  C   UNL     1       3.333  -1.630   0.389  1.00  0.00           C  
HETATM    4  C   UNL     1       2.407  -0.595   0.440  1.00  0.00           C  
HETATM    5  N   UNL     1       1.054  -0.876   0.646  1.00  0.00           N  
HETATM    6  C   UNL     1       0.111  -0.105   0.069  1.00  0.00           C  
HETATM    7  O   UNL     1       0.434   0.773  -0.705  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.332  -0.331   0.382  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.656  -1.209   1.155  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.276   0.440  -0.195  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.694   0.218   0.112  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.469   1.514  -0.123  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.953   1.307   0.167  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.708   2.546  -0.363  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.177   1.254   1.683  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.498   0.133  -0.483  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.731  -1.093  -0.538  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.881  -1.900   0.757  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.291  -1.962  -1.686  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.249  -0.857  -0.822  1.00  0.00           C  
HETATM   21  C   UNL     1       2.830   0.719   0.287  1.00  0.00           C  
HETATM   22  C   UNL     1       4.169   0.994   0.089  1.00  0.00           C  
HETATM   23 BR   UNL     1       6.919   0.340  -0.243  1.00  0.00          Br  
HETATM   24  H   UNL     1       5.390  -2.154   0.147  1.00  0.00           H  
HETATM   25  H   UNL     1       3.007  -2.653   0.508  1.00  0.00           H  
HETATM   26  H   UNL     1       0.793  -1.626   1.203  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.017   1.141  -0.813  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.786  -0.096   1.149  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.076   2.295   0.533  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.342   1.829  -1.161  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.314   3.443   0.114  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.574   2.619  -1.443  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.770   2.450  -0.135  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.244   1.170   1.890  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.658   0.389   2.097  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.788   2.164   2.139  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.946   0.349  -1.361  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.321  -2.831   0.672  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.496  -1.319   1.594  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.935  -2.124   0.925  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.202  -1.422  -2.628  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.727  -2.893  -1.746  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.341  -2.186  -1.494  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.125  -0.535  -1.859  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.697  -1.787  -0.674  1.00  0.00           H  
HETATM   46  H   UNL     1       2.113   1.526   0.326  1.00  0.00           H  
HETATM   47  H   UNL     1       4.498   2.016  -0.030  1.00  0.00           H  
CONECT    1   22   22    2   23                                       
CONECT    2    3    3    1   24                                       
CONECT    3    4    2    2   25                                       
CONECT    4    5   21   21    3                                       
CONECT    5    6    4   26                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    9   10    6                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   27                                            
CONECT   11   20   12   10   28                                       
CONECT   12   13   11   29   30                                       
CONECT   13   16   15   14   12                                       
CONECT   14   13   31   32   33                                       
CONECT   15   13   34   35   36                                       
CONECT   16   17   13   37                                            
CONECT   17   18   19   16   20                                       
CONECT   18   17   38   39   40                                       
CONECT   19   17   41   42   43                                       
CONECT   20   17   11   44   45                                       
CONECT   21    4    4   22   46                                       
CONECT   22   21    1    1   47                                       
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
