COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.323  -0.284  -1.788  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.613  -0.369  -2.610  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.067   0.988  -2.945  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.203   0.948  -3.875  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.402   1.751  -1.735  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.144   1.923  -0.878  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.561   0.595  -0.633  1.00  0.00           N  
HETATM    8  S   UNL     1      -5.182   0.102   0.902  1.00  0.00           S  
HETATM    9  O   UNL     1      -5.997   0.866   1.781  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.183  -1.318   0.879  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.519   0.594   1.212  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.482  -0.257   0.896  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.259   1.837   1.766  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.959   2.234   2.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.904   1.389   1.706  1.00  0.00           C  
HETATM   16  O   UNL     1       0.373   1.778   1.948  1.00  0.00           O  
HETATM   17  C   UNL     1       0.559   3.074   2.521  1.00  0.00           C  
HETATM   18  C   UNL     1       2.054   3.334   2.719  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.162   0.134   1.136  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.048  -0.773   0.805  1.00  0.00           C  
HETATM   21  N   UNL     1       1.191  -0.395   1.051  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.317  -1.992   0.256  1.00  0.00           N  
HETATM   23  C   UNL     1       0.699  -2.828  -0.048  1.00  0.00           C  
HETATM   24  O   UNL     1       0.478  -3.922  -0.540  1.00  0.00           O  
HETATM   25  C   UNL     1       2.020  -2.412   0.213  1.00  0.00           C  
HETATM   26 BR   UNL     1       3.482  -3.540  -0.194  1.00  0.00          Br  
HETATM   27  C   UNL     1       2.226  -1.183   0.768  1.00  0.00           C  
HETATM   28  C   UNL     1       3.628  -0.714   1.057  1.00  0.00           C  
HETATM   29  C   UNL     1       4.134   0.133  -0.112  1.00  0.00           C  
HETATM   30  C   UNL     1       5.558   0.609   0.181  1.00  0.00           C  
HETATM   31  C   UNL     1       6.064   1.457  -0.988  1.00  0.00           C  
HETATM   32  C   UNL     1       7.488   1.933  -0.695  1.00  0.00           C  
HETATM   33  C   UNL     1       7.994   2.780  -1.864  1.00  0.00           C  
HETATM   34  C   UNL     1       9.418   3.256  -1.570  1.00  0.00           C  
HETATM   35  C   UNL     1       9.924   4.103  -2.740  1.00  0.00           C  
HETATM   36  H   UNL     1      -5.044  -1.279  -1.440  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.523   0.128  -2.404  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.424  -0.926  -3.527  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.383  -0.876  -2.028  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.030   0.407  -3.416  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.518   1.966  -4.106  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.903   0.444  -4.793  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.786   2.731  -2.019  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.161   1.215  -1.166  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.424   2.547  -1.406  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.408   2.390   0.071  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.689  -1.225   0.464  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.077   2.499   2.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.765   3.204   2.445  1.00  0.00           H  
HETATM   50  H   UNL     1       0.144   3.829   1.853  1.00  0.00           H  
HETATM   51  H   UNL     1       0.052   3.121   3.484  1.00  0.00           H  
HETATM   52  H   UNL     1       2.196   4.322   3.156  1.00  0.00           H  
HETATM   53  H   UNL     1       2.469   2.579   3.386  1.00  0.00           H  
HETATM   54  H   UNL     1       2.562   3.286   1.755  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.234  -2.258   0.086  1.00  0.00           H  
HETATM   56  H   UNL     1       3.631  -0.114   1.968  1.00  0.00           H  
HETATM   57  H   UNL     1       4.280  -1.577   1.189  1.00  0.00           H  
HETATM   58  H   UNL     1       4.132  -0.466  -1.023  1.00  0.00           H  
HETATM   59  H   UNL     1       5.561   1.209   1.092  1.00  0.00           H  
HETATM   60  H   UNL     1       6.062   0.857  -1.898  1.00  0.00           H  
HETATM   61  H   UNL     1       7.490   2.532   0.216  1.00  0.00           H  
HETATM   62  H   UNL     1       7.991   2.181  -2.774  1.00  0.00           H  
HETATM   63  H   UNL     1       7.342   3.643  -1.996  1.00  0.00           H  
HETATM   64  H   UNL     1       9.420   3.855  -0.660  1.00  0.00           H  
HETATM   65  H   UNL     1      10.070   2.392  -1.439  1.00  0.00           H  
HETATM   66  H   UNL     1       9.921   3.504  -3.650  1.00  0.00           H  
HETATM   67  H   UNL     1       9.272   4.967  -2.872  1.00  0.00           H  
HETATM   68  H   UNL     1      10.938   4.442  -2.531  1.00  0.00           H  
HETATM   69  H   UNL     1       3.482   0.997  -0.244  1.00  0.00           H  
HETATM   70  H   UNL     1       6.210  -0.254   0.313  1.00  0.00           H  
HETATM   71  H   UNL     1       5.412   2.320  -1.120  1.00  0.00           H  
HETATM   72  H   UNL     1       8.140   1.069  -0.563  1.00  0.00           H  
CONECT    1    2    7   36   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4    5                                            
CONECT    4    3   40   41   42                                       
CONECT    5    3    6   43   44                                       
CONECT    6    7    5   45   46                                       
CONECT    7    1    8    6                                            
CONECT    8   11   10   10    7                                       
CONECT    8    9    9                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   12   12   13    8                                       
CONECT   12   19   11   11   47                                       
CONECT   13   14   14   11   48                                       
CONECT   14   15   13   13   49                                       
CONECT   15   16   19   19   14                                       
CONECT   16   17   15                                                 
CONECT   17   18   16   50   51                                       
CONECT   18   17   52   53   54                                       
CONECT   19   20   15   15   12                                       
CONECT   20   21   21   22   19                                       
CONECT   21   27   20   20                                            
CONECT   22   23   20   55                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   27   27   23                                       
CONECT   26   25                                                      
CONECT   27   28   25   25   21                                       
CONECT   28   29   27   56   57                                       
CONECT   29   30   28   58   69                                       
CONECT   30   31   29   59   70                                       
CONECT   31   32   30   60   71                                       
CONECT   32   33   31   61   72                                       
CONECT   33   34   32   62   63                                       
CONECT   34   35   33   64   65                                       
CONECT   35   34   66   67   68                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   22                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
