COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.092   0.869   0.885  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.257   1.850   0.732  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.496   1.101   0.479  1.00  0.00           N  
HETATM    4  C   UNL     1      -9.651   2.005   0.402  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.378   0.291  -0.741  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.213  -0.690  -0.589  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.975   0.059  -0.336  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.819  -0.845  -0.259  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.548  -0.035  -0.246  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.600   1.176  -0.296  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.247  -0.712  -0.172  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.069   0.037  -0.154  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.186  -2.112  -0.114  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.969  -2.750  -0.045  1.00  0.00           C  
HETATM   15  C   UNL     1       0.208  -2.014  -0.032  1.00  0.00           C  
HETATM   16  O   UNL     1       1.403  -2.649   0.036  1.00  0.00           O  
HETATM   17  C   UNL     1       1.377  -4.076   0.093  1.00  0.00           C  
HETATM   18  C   UNL     1       2.809  -4.610   0.165  1.00  0.00           C  
HETATM   19  C   UNL     1       2.781  -6.139   0.226  1.00  0.00           C  
HETATM   20  C   UNL     1       0.161  -0.611  -0.084  1.00  0.00           C  
HETATM   21  C   UNL     1       1.411   0.173  -0.065  1.00  0.00           C  
HETATM   22  N   UNL     1       2.568  -0.454   0.002  1.00  0.00           N  
HETATM   23  N   UNL     1       1.349   1.534  -0.121  1.00  0.00           N  
HETATM   24  C   UNL     1       2.489   2.258  -0.104  1.00  0.00           C  
HETATM   25  O   UNL     1       2.453   3.476  -0.153  1.00  0.00           O  
HETATM   26  C   UNL     1       3.721   1.578  -0.027  1.00  0.00           C  
HETATM   27 BR   UNL     1       5.349   2.538   0.000  1.00  0.00          Br  
HETATM   28  C   UNL     1       3.719   0.214   0.021  1.00  0.00           C  
HETATM   29  C   UNL     1       5.023  -0.537   0.104  1.00  0.00           C  
HETATM   30  C   UNL     1       5.050  -1.372   1.386  1.00  0.00           C  
HETATM   31  C   UNL     1       5.157  -1.461  -1.109  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.168   1.424   1.043  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.276   0.216   1.738  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.364   2.432   1.647  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.060   2.521  -0.104  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.502   2.717  -0.410  1.00  0.00           H  
HETATM   37  H   UNL     1     -10.554   1.425   0.214  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.755   2.544   1.344  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.303  -0.264  -0.900  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.194   0.944  -1.595  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.410  -1.361   0.248  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.106  -1.272  -1.504  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.882  -1.437   0.654  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.819  -1.508  -1.123  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.112   1.116  -0.195  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.098  -2.691  -0.123  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.930  -3.829  -0.001  1.00  0.00           H  
HETATM   48  H   UNL     1       0.825  -4.395   0.977  1.00  0.00           H  
HETATM   49  H   UNL     1       0.889  -4.466  -0.801  1.00  0.00           H  
HETATM   50  H   UNL     1       3.361  -4.291  -0.719  1.00  0.00           H  
HETATM   51  H   UNL     1       3.297  -4.220   1.059  1.00  0.00           H  
HETATM   52  H   UNL     1       2.229  -6.457   1.110  1.00  0.00           H  
HETATM   53  H   UNL     1       2.293  -6.529  -0.668  1.00  0.00           H  
HETATM   54  H   UNL     1       3.801  -6.519   0.277  1.00  0.00           H  
HETATM   55  H   UNL     1       5.851   0.172   0.114  1.00  0.00           H  
HETATM   56  H   UNL     1       4.222  -2.081   1.376  1.00  0.00           H  
HETATM   57  H   UNL     1       5.993  -1.915   1.445  1.00  0.00           H  
HETATM   58  H   UNL     1       4.955  -0.714   2.250  1.00  0.00           H  
HETATM   59  H   UNL     1       5.137  -0.866  -2.022  1.00  0.00           H  
HETATM   60  H   UNL     1       6.100  -2.004  -1.049  1.00  0.00           H  
HETATM   61  H   UNL     1       4.329  -2.170  -1.119  1.00  0.00           H  
HETATM   62  H   UNL     1       0.489   1.981  -0.173  1.00  0.00           H  
CONECT    1    7    2   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    5    4    2                                            
CONECT    4    3   36   37   38                                       
CONECT    5    6    3   39   40                                       
CONECT    6    7    5   41   42                                       
CONECT    7    8    6    1                                            
CONECT    8    9    7   43   44                                       
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   13   13                                       
CONECT   12   20   20   11   45                                       
CONECT   13   11   11   14   46                                       
CONECT   14   15   15   13   47                                       
CONECT   15   20   16   14   14                                       
CONECT   16   15   17                                                 
CONECT   17   18   16   48   49                                       
CONECT   18   19   17   50   51                                       
CONECT   19   18   52   53   54                                       
CONECT   20   21   12   12   15                                       
CONECT   21   22   22   23   20                                       
CONECT   22   28   21   21                                            
CONECT   23   24   21   62                                            
CONECT   24   26   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   27   28   28   24                                       
CONECT   27   26                                                      
CONECT   28   29   26   26   22                                       
CONECT   29   30   31   28   55                                       
CONECT   30   29   56   57   58                                       
CONECT   31   29   59   60   61                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   23                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
