COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.250  -3.024  -0.237  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.140  -3.009   0.827  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.223  -1.801   1.725  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.951  -4.103   1.063  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.876  -5.211   0.240  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.989  -5.228  -0.821  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.181  -4.135  -1.065  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.215  -4.154  -2.221  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.452  -1.950  -0.471  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.248  -2.161   0.269  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.314  -0.998   0.051  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.646  -0.080  -0.667  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.109  -0.980   0.655  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.201   0.150   0.443  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.546   1.273   1.424  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.922   1.804   1.116  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.031   1.245   1.724  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.293   1.732   1.441  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.448   2.778   0.551  1.00  0.00           C  
HETATM   20 BR   UNL     1      -3.550   4.768  -1.276  1.00  0.00          Br  
HETATM   21  C   UNL     1      -3.339   3.337  -0.058  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.075   2.853   0.229  1.00  0.00           C  
HETATM   23  C   UNL     1       1.242  -0.304   0.675  1.00  0.00           C  
HETATM   24  O   UNL     1       1.410  -0.673   2.045  1.00  0.00           O  
HETATM   25  C   UNL     1       2.198   0.841   0.334  1.00  0.00           C  
HETATM   26  C   UNL     1       3.642   0.349   0.445  1.00  0.00           C  
HETATM   27  S   UNL     1       3.947  -0.923  -0.812  1.00  0.00           S  
HETATM   28  O   UNL     1       3.855  -0.392  -2.127  1.00  0.00           O  
HETATM   29  O   UNL     1       3.355  -2.164  -0.455  1.00  0.00           O  
HETATM   30  C   UNL     1       5.671  -1.249  -0.643  1.00  0.00           C  
HETATM   31  C   UNL     1       6.102  -2.277   0.174  1.00  0.00           C  
HETATM   32  C   UNL     1       7.454  -2.534   0.308  1.00  0.00           C  
HETATM   33  C   UNL     1       8.375  -1.761  -0.378  1.00  0.00           C  
HETATM   34  F   UNL     1       9.697  -2.011  -0.249  1.00  0.00           F  
HETATM   35  C   UNL     1       7.942  -0.732  -1.197  1.00  0.00           C  
HETATM   36  C   UNL     1       6.590  -0.481  -1.333  1.00  0.00           C  
HETATM   37  C   UNL     1       4.599   1.522   0.226  1.00  0.00           C  
HETATM   38  C   UNL     1       4.445   2.527   1.370  1.00  0.00           C  
HETATM   39  C   UNL     1       4.893   1.879   2.682  1.00  0.00           C  
HETATM   40  C   UNL     1       5.309   3.758   1.088  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.965  -1.107   1.331  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.513  -2.113   2.728  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.250  -1.311   1.764  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.644  -4.092   1.892  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.510  -6.065   0.426  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.932  -6.096  -1.462  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.705  -3.760  -3.111  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.348  -3.538  -1.981  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.892  -5.179  -2.408  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.769  -3.080  -0.070  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.483  -2.244   1.330  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.843  -1.715   1.229  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.307   0.515  -0.579  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.526   0.884   2.442  1.00  0.00           H  
HETATM   55  H   UNL     1       0.184   2.077   1.328  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.911   0.428   2.420  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.159   1.295   1.916  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.434   3.158   0.330  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.209   3.290  -0.245  1.00  0.00           H  
HETATM   60  H   UNL     1       1.459  -1.161   0.038  1.00  0.00           H  
HETATM   61  H   UNL     1       1.209   0.112   2.573  1.00  0.00           H  
HETATM   62  H   UNL     1       2.040   1.665   1.028  1.00  0.00           H  
HETATM   63  H   UNL     1       2.008   1.181  -0.684  1.00  0.00           H  
HETATM   64  H   UNL     1       3.807  -0.074   1.437  1.00  0.00           H  
HETATM   65  H   UNL     1       5.383  -2.880   0.709  1.00  0.00           H  
HETATM   66  H   UNL     1       7.790  -3.336   0.947  1.00  0.00           H  
HETATM   67  H   UNL     1       8.660  -0.129  -1.732  1.00  0.00           H  
HETATM   68  H   UNL     1       6.252   0.322  -1.972  1.00  0.00           H  
HETATM   69  H   UNL     1       4.365   2.010  -0.720  1.00  0.00           H  
HETATM   70  H   UNL     1       5.625   1.155   0.201  1.00  0.00           H  
HETATM   71  H   UNL     1       3.400   2.827   1.452  1.00  0.00           H  
HETATM   72  H   UNL     1       4.874   2.621   3.479  1.00  0.00           H  
HETATM   73  H   UNL     1       4.219   1.059   2.931  1.00  0.00           H  
HETATM   74  H   UNL     1       5.907   1.493   2.569  1.00  0.00           H  
HETATM   75  H   UNL     1       6.353   3.458   1.007  1.00  0.00           H  
HETATM   76  H   UNL     1       4.989   4.219   0.154  1.00  0.00           H  
HETATM   77  H   UNL     1       5.199   4.473   1.903  1.00  0.00           H  
CONECT    1    2    2    7    9                                       
CONECT    2    1    1    3    4                                       
CONECT    3    2   41   42   43                                       
CONECT    4    2    5    5   44                                       
CONECT    5    4    4    6   45                                       
CONECT    6    5    7    7   46                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7   47   48   49                                       
CONECT    9    1   10                                                 
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   52                                            
CONECT   14   13   15   23   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   56                                       
CONECT   18   17   19   19   57                                       
CONECT   19   18   18   21   58                                       
CONECT   20   21                                                      
CONECT   21   19   20   22   22                                       
CONECT   22   16   21   21   59                                       
CONECT   23   14   24   25   60                                       
CONECT   24   23   61                                                 
CONECT   25   23   26   62   63                                       
CONECT   26   25   27   37   64                                       
CONECT   27   26   28   28   29                                       
CONECT   27   29   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31   31   36                                       
CONECT   31   30   30   32   65                                       
CONECT   32   31   33   33   66                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33                                                      
CONECT   35   33   36   36   67                                       
CONECT   36   30   35   35   68                                       
CONECT   37   26   38   69   70                                       
CONECT   38   37   39   40   71                                       
CONECT   39   38   72   73   74                                       
CONECT   40   38   75   76   77                                       
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
