COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.189   0.543  -0.650  1.00  0.00           N  
HETATM    2  C   UNL     1       0.063   0.718  -1.391  1.00  0.00           C  
HETATM    3  C   UNL     1       1.214   0.211  -0.560  1.00  0.00           C  
HETATM    4  O   UNL     1       1.033  -0.105   0.597  1.00  0.00           O  
HETATM    5  C   UNL     1       0.271   2.203  -1.698  1.00  0.00           C  
HETATM    6  O   UNL     1       0.310   2.941  -0.475  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.883   2.711  -2.564  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.936  -0.557   1.445  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.630   0.689   0.912  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.594   0.816   0.008  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.860  -0.295  -0.366  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.730  -0.152  -1.353  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.334   0.290  -1.314  1.00  0.00           C  
HETATM   14  C   UNL     1       1.630   3.240  -0.019  1.00  0.00           C  
HETATM   15  C   UNL     1       1.555   3.927   1.347  1.00  0.00           C  
HETATM   16  C   UNL     1       2.969   4.247   1.836  1.00  0.00           C  
HETATM   17  C   UNL     1       3.649  -0.936   0.800  1.00  0.00           C  
HETATM   18  C   UNL     1       4.287  -0.368   1.895  1.00  0.00           C  
HETATM   19  C   UNL     1       4.318  -1.041   3.101  1.00  0.00           C  
HETATM   20  C   UNL     1       3.714  -2.280   3.218  1.00  0.00           C  
HETATM   21  C   UNL     1       3.077  -2.849   2.130  1.00  0.00           C  
HETATM   22  C   UNL     1       3.043  -2.181   0.922  1.00  0.00           C  
HETATM   23  C   UNL     1       4.790   0.187  -1.176  1.00  0.00           C  
HETATM   24  C   UNL     1       4.250   0.847  -2.461  1.00  0.00           C  
HETATM   25  C   UNL     1       2.785   0.361  -2.513  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.162  -1.537   0.162  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.193  -1.670   1.071  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.983  -0.690   2.360  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.485   0.123  -0.632  1.00  0.00           N  
HETATM   30  N   UNL     1       2.443   0.109  -1.102  1.00  0.00           N  
HETATM   31  N   UNL     1       3.611  -0.254  -0.419  1.00  0.00           N  
HETATM   32  O   UNL     1       2.898   4.888   3.111  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.330   0.211  -2.527  1.00  0.00           O  
HETATM   34 BR   UNL     1       2.172  -2.959  -0.566  1.00  0.00          Br  
HETATM   35  H   UNL     1      -1.192   0.606   0.318  1.00  0.00           H  
HETATM   36  H   UNL     1       0.014   0.157  -2.324  1.00  0.00           H  
HETATM   37  H   UNL     1       1.212   2.335  -2.232  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.811   2.669  -1.994  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.687   3.740  -2.863  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.974   2.085  -3.452  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.203   1.557   1.204  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.356   1.784  -0.407  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.624  -1.077  -1.921  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.945   0.670  -2.035  1.00  0.00           H  
HETATM   45  H   UNL     1       2.202   2.316   0.071  1.00  0.00           H  
HETATM   46  H   UNL     1       2.120   3.903  -0.732  1.00  0.00           H  
HETATM   47  H   UNL     1       0.983   4.850   1.258  1.00  0.00           H  
HETATM   48  H   UNL     1       1.065   3.264   2.060  1.00  0.00           H  
HETATM   49  H   UNL     1       3.540   3.323   1.924  1.00  0.00           H  
HETATM   50  H   UNL     1       3.458   4.910   1.122  1.00  0.00           H  
HETATM   51  H   UNL     1       4.759   0.599   1.804  1.00  0.00           H  
HETATM   52  H   UNL     1       4.814  -0.600   3.952  1.00  0.00           H  
HETATM   53  H   UNL     1       3.739  -2.804   4.162  1.00  0.00           H  
HETATM   54  H   UNL     1       2.607  -3.816   2.225  1.00  0.00           H  
HETATM   55  H   UNL     1       5.416  -0.669  -1.429  1.00  0.00           H  
HETATM   56  H   UNL     1       5.361   0.910  -0.594  1.00  0.00           H  
HETATM   57  H   UNL     1       4.293   1.934  -2.383  1.00  0.00           H  
HETATM   58  H   UNL     1       4.803   0.501  -3.334  1.00  0.00           H  
HETATM   59  H   UNL     1       2.140   1.134  -2.931  1.00  0.00           H  
HETATM   60  H   UNL     1       2.708  -0.557  -3.097  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.588  -2.403  -0.132  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.428  -2.640   1.484  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.498   0.089   2.623  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.195  -1.560   2.731  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.489   0.186   0.336  1.00  0.00           H  
HETATM   66  H   UNL     1       3.760   5.121   3.482  1.00  0.00           H  
CONECT    1   13    2   35                                            
CONECT    2    5    1    3   36                                       
CONECT    3    2   30    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    7    2    6   37                                       
CONECT    6    5   14                                                 
CONECT    7    5   38   39   40                                       
CONECT    8   27   27    9   28                                       
CONECT    9   10   10    8   41                                       
CONECT   10   11    9    9   42                                       
CONECT   11   12   26   26   10                                       
CONECT   12   29   11   43   44                                       
CONECT   13   33   33   29    1                                       
CONECT   14    6   15   45   46                                       
CONECT   15   16   14   47   48                                       
CONECT   16   32   15   49   50                                       
CONECT   17   22   31   18   18                                       
CONECT   18   17   17   19   51                                       
CONECT   19   20   20   18   52                                       
CONECT   20   21   19   19   53                                       
CONECT   21   22   22   20   54                                       
CONECT   22   34   21   21   17                                       
CONECT   23   31   24   55   56                                       
CONECT   24   23   25   57   58                                       
CONECT   25   30   24   59   60                                       
CONECT   26   11   11   27   61                                       
CONECT   27   26    8    8   62                                       
CONECT   28    8   63   64                                            
CONECT   29   12   13   65                                            
CONECT   30   31    3   25                                            
CONECT   31   23   17   30                                            
CONECT   32   16   66                                                 
CONECT   33   13   13                                                 
CONECT   34   22                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
