COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1     -15.901  -3.003  -0.320  1.00  0.00          Br  
HETATM    2  C   UNL     1     -14.578  -1.911   0.641  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.257  -1.915  -0.131  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.227  -1.065   0.617  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.906  -1.069  -0.155  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.876  -0.220   0.593  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.555  -0.223  -0.179  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.525   0.626   0.569  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.204   0.622  -0.203  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.175   1.472   0.545  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.853   1.468  -0.227  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.824   2.318   0.521  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.503   2.314  -0.250  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.488   3.151   0.486  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.791   3.695   1.521  1.00  0.00           O  
HETATM   16  O   UNL     1       0.751   3.292  -0.009  1.00  0.00           O  
HETATM   17  C   UNL     1       1.676   4.113   0.753  1.00  0.00           C  
HETATM   18  C   UNL     1       3.028   4.156   0.039  1.00  0.00           C  
HETATM   19  C   UNL     1       2.829   4.637  -1.400  1.00  0.00           C  
HETATM   20  O   UNL     1       1.866   3.806  -2.052  1.00  0.00           O  
HETATM   21  O   UNL     1       3.612   2.827   0.028  1.00  0.00           O  
HETATM   22  C   UNL     1       4.953   2.751   0.034  1.00  0.00           C  
HETATM   23  O   UNL     1       5.615   3.761   0.047  1.00  0.00           O  
HETATM   24  C   UNL     1       5.631   1.405   0.024  1.00  0.00           C  
HETATM   25  C   UNL     1       7.148   1.599   0.032  1.00  0.00           C  
HETATM   26  C   UNL     1       7.837   0.233   0.022  1.00  0.00           C  
HETATM   27  C   UNL     1       9.355   0.427   0.031  1.00  0.00           C  
HETATM   28  C   UNL     1      10.043  -0.939   0.021  1.00  0.00           C  
HETATM   29  C   UNL     1      11.561  -0.746   0.030  1.00  0.00           C  
HETATM   30  C   UNL     1      12.250  -2.112   0.020  1.00  0.00           C  
HETATM   31  C   UNL     1      13.767  -1.918   0.028  1.00  0.00           C  
HETATM   32  C   UNL     1      14.456  -3.284   0.018  1.00  0.00           C  
HETATM   33  C   UNL     1      15.974  -3.091   0.027  1.00  0.00           C  
HETATM   34  C   UNL     1      16.663  -4.457   0.017  1.00  0.00           C  
HETATM   35  C   UNL     1      18.180  -4.263   0.025  1.00  0.00           C  
HETATM   36  C   UNL     1      18.869  -5.629   0.015  1.00  0.00           C  
HETATM   37  H   UNL     1     -14.945  -0.889   0.728  1.00  0.00           H  
HETATM   38  H   UNL     1     -14.419  -2.326   1.636  1.00  0.00           H  
HETATM   39  H   UNL     1     -12.890  -2.938  -0.217  1.00  0.00           H  
HETATM   40  H   UNL     1     -13.416  -1.501  -1.126  1.00  0.00           H  
HETATM   41  H   UNL     1     -12.594  -0.043   0.704  1.00  0.00           H  
HETATM   42  H   UNL     1     -12.068  -1.480   1.612  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.539  -2.092  -0.241  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.065  -0.655  -1.150  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.243   0.803   0.680  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.717  -0.634   1.588  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.188  -1.246  -0.265  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.714   0.191  -1.174  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.893   1.649   0.656  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.366   0.212   1.564  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.837  -0.400  -0.289  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.364   1.037  -1.198  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.542   2.495   0.632  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.015   1.058   1.540  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.486   0.445  -0.313  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.013   1.883  -1.222  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.191   3.341   0.608  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.665   1.903   1.516  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.136   1.291  -0.337  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.662   2.728  -1.246  1.00  0.00           H  
HETATM   61  H   UNL     1       1.278   5.124   0.840  1.00  0.00           H  
HETATM   62  H   UNL     1       1.804   3.687   1.748  1.00  0.00           H  
HETATM   63  H   UNL     1       3.694   4.842   0.562  1.00  0.00           H  
HETATM   64  H   UNL     1       2.473   5.667  -1.393  1.00  0.00           H  
HETATM   65  H   UNL     1       3.777   4.583  -1.935  1.00  0.00           H  
HETATM   66  H   UNL     1       1.690   4.053  -2.970  1.00  0.00           H  
HETATM   67  H   UNL     1       5.332   0.841   0.907  1.00  0.00           H  
HETATM   68  H   UNL     1       5.340   0.858  -0.873  1.00  0.00           H  
HETATM   69  H   UNL     1       7.448   2.164  -0.851  1.00  0.00           H  
HETATM   70  H   UNL     1       7.440   2.146   0.929  1.00  0.00           H  
HETATM   71  H   UNL     1       7.538  -0.331   0.905  1.00  0.00           H  
HETATM   72  H   UNL     1       7.546  -0.314  -0.874  1.00  0.00           H  
HETATM   73  H   UNL     1       9.654   0.991  -0.852  1.00  0.00           H  
HETATM   74  H   UNL     1       9.646   0.974   0.928  1.00  0.00           H  
HETATM   75  H   UNL     1       9.744  -1.504   0.904  1.00  0.00           H  
HETATM   76  H   UNL     1       9.752  -1.487  -0.876  1.00  0.00           H  
HETATM   77  H   UNL     1      11.861  -0.181  -0.853  1.00  0.00           H  
HETATM   78  H   UNL     1      11.852  -0.199   0.926  1.00  0.00           H  
HETATM   79  H   UNL     1      11.950  -2.676   0.903  1.00  0.00           H  
HETATM   80  H   UNL     1      11.959  -2.659  -0.877  1.00  0.00           H  
HETATM   81  H   UNL     1      14.067  -1.354  -0.855  1.00  0.00           H  
HETATM   82  H   UNL     1      14.059  -1.371   0.925  1.00  0.00           H  
HETATM   83  H   UNL     1      14.157  -3.849   0.901  1.00  0.00           H  
HETATM   84  H   UNL     1      14.165  -3.831  -0.879  1.00  0.00           H  
HETATM   85  H   UNL     1      16.273  -2.526  -0.856  1.00  0.00           H  
HETATM   86  H   UNL     1      16.265  -2.544   0.924  1.00  0.00           H  
HETATM   87  H   UNL     1      16.363  -5.021   0.900  1.00  0.00           H  
HETATM   88  H   UNL     1      16.371  -5.004  -0.880  1.00  0.00           H  
HETATM   89  H   UNL     1      18.479  -3.699  -0.858  1.00  0.00           H  
HETATM   90  H   UNL     1      18.471  -3.716   0.922  1.00  0.00           H  
HETATM   91  H   UNL     1      18.569  -6.194   0.898  1.00  0.00           H  
HETATM   92  H   UNL     1      18.577  -6.176  -0.882  1.00  0.00           H  
HETATM   93  H   UNL     1      19.950  -5.491   0.022  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1   37   38                                       
CONECT    3    4    2   39   40                                       
CONECT    4    5    3   41   42                                       
CONECT    5    6    4   43   44                                       
CONECT    6    7    5   45   46                                       
CONECT    7    8    6   47   48                                       
CONECT    8    9    7   49   50                                       
CONECT    9   10    8   51   52                                       
CONECT   10   11    9   53   54                                       
CONECT   11   12   10   55   56                                       
CONECT   12   13   11   57   58                                       
CONECT   13   14   12   59   60                                       
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18   61   62                                       
CONECT   18   19   17   21   63                                       
CONECT   19   20   18   64   65                                       
CONECT   20   19   66                                                 
CONECT   21   18   22                                                 
CONECT   22   23   23   21   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   67   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   29   75   76                                       
CONECT   29   28   30   77   78                                       
CONECT   30   29   31   79   80                                       
CONECT   31   30   32   81   82                                       
CONECT   32   31   33   83   84                                       
CONECT   33   32   34   85   86                                       
CONECT   34   33   35   87   88                                       
CONECT   35   34   36   89   90                                       
CONECT   36   35   91   92   93                                       
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
