COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.871   0.467   1.907  1.00  0.00           C  
HETATM    2  O   UNL     1       9.244  -0.339   0.908  1.00  0.00           O  
HETATM    3  C   UNL     1       7.996   0.028   0.512  1.00  0.00           C  
HETATM    4  C   UNL     1       7.326  -0.712  -0.457  1.00  0.00           C  
HETATM    5  O   UNL     1       7.918  -1.805  -1.010  1.00  0.00           O  
HETATM    6  C   UNL     1       7.171  -2.516  -1.999  1.00  0.00           C  
HETATM    7  C   UNL     1       6.055  -0.334  -0.858  1.00  0.00           C  
HETATM    8  C   UNL     1       5.455   0.776  -0.294  1.00  0.00           C  
HETATM    9  C   UNL     1       4.072   1.186  -0.731  1.00  0.00           C  
HETATM   10  C   UNL     1       3.032   0.493   0.152  1.00  0.00           C  
HETATM   11  N   UNL     1       1.684   0.893  -0.274  1.00  0.00           N  
HETATM   12  C   UNL     1       1.456   2.322  -0.026  1.00  0.00           C  
HETATM   13  C   UNL     1       0.659   0.074   0.386  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.702   0.342  -0.259  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.770  -0.511   0.429  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.147  -0.158  -0.136  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.417   1.272   0.085  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.625   2.376   0.255  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.174  -0.456  -1.637  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.860  -1.936  -1.868  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.562  -0.136  -2.195  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.201  -0.981   0.558  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.862  -2.185   1.147  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.829  -2.940   1.784  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.135  -2.491   1.833  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.476  -1.288   1.245  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.508  -0.529   0.612  1.00  0.00           C  
HETATM   28 BR   UNL     1      -5.973   1.118  -0.192  1.00  0.00          Br  
HETATM   29  C   UNL     1       6.120   1.512   0.669  1.00  0.00           C  
HETATM   30  C   UNL     1       7.387   1.137   1.077  1.00  0.00           C  
HETATM   31  H   UNL     1       9.969   1.489   1.541  1.00  0.00           H  
HETATM   32  H   UNL     1       9.264   0.463   2.812  1.00  0.00           H  
HETATM   33  H   UNL     1      10.859   0.065   2.131  1.00  0.00           H  
HETATM   34  H   UNL     1       7.757  -3.363  -2.357  1.00  0.00           H  
HETATM   35  H   UNL     1       6.241  -2.878  -1.562  1.00  0.00           H  
HETATM   36  H   UNL     1       6.947  -1.852  -2.833  1.00  0.00           H  
HETATM   37  H   UNL     1       5.533  -0.907  -1.610  1.00  0.00           H  
HETATM   38  H   UNL     1       3.966   2.267  -0.637  1.00  0.00           H  
HETATM   39  H   UNL     1       3.918   0.896  -1.770  1.00  0.00           H  
HETATM   40  H   UNL     1       3.137  -0.588   0.057  1.00  0.00           H  
HETATM   41  H   UNL     1       3.186   0.784   1.191  1.00  0.00           H  
HETATM   42  H   UNL     1       2.186   2.909  -0.583  1.00  0.00           H  
HETATM   43  H   UNL     1       0.450   2.592  -0.350  1.00  0.00           H  
HETATM   44  H   UNL     1       1.561   2.528   1.039  1.00  0.00           H  
HETATM   45  H   UNL     1       0.911  -0.981   0.277  1.00  0.00           H  
HETATM   46  H   UNL     1       0.616   0.329   1.445  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.954   1.397  -0.150  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.660   0.086  -1.317  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.563  -1.566   0.250  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.756  -0.315   1.501  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.428   0.157  -2.142  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.865  -2.145  -2.938  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.877  -2.167  -1.457  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.614  -2.549  -1.375  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.773   0.924  -2.058  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.590  -0.377  -3.258  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.311  -0.727  -1.669  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.841  -2.536   1.108  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.563  -3.881   2.243  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.891  -3.082   2.331  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.496  -0.935   1.287  1.00  0.00           H  
HETATM   62  H   UNL     1       5.646   2.376   1.110  1.00  0.00           H  
HETATM   63  H   UNL     1       7.904   1.712   1.830  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3                                                 
CONECT    3   30    2    4    4                                       
CONECT    4    3    3    7    5                                       
CONECT    5    4    6                                                 
CONECT    6    5   34   35   36                                       
CONECT    7    8    8    4   37                                       
CONECT    8   29    9    7    7                                       
CONECT    9   10    8   38   39                                       
CONECT   10   11    9   40   41                                       
CONECT   11   13   12   10                                            
CONECT   12   11   42   43   44                                       
CONECT   13   14   11   45   46                                       
CONECT   14   13   15   47   48                                       
CONECT   15   14   16   49   50                                       
CONECT   16   15   22   17   19                                       
CONECT   17   18   18   18   16                                       
CONECT   18   17   17   17                                            
CONECT   19   16   20   21   51                                       
CONECT   20   19   52   53   54                                       
CONECT   21   19   55   56   57                                       
CONECT   22   27   16   23   23                                       
CONECT   23   22   22   24   58                                       
CONECT   24   25   25   23   59                                       
CONECT   25   26   24   24   60                                       
CONECT   26   27   27   25   61                                       
CONECT   27   28   26   26   22                                       
CONECT   28   27                                                      
CONECT   29   30   30    8   62                                       
CONECT   30   29   29    3   63                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
