COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.385  -3.515  -1.426  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.939  -2.471  -2.223  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.124  -1.164  -1.815  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.754  -0.897  -0.613  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.671   2.847   2.369  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.440   1.550   0.405  1.00  0.00           C  
HETATM    7  C   UNL     1       2.206   0.061   0.527  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.169   0.789   0.689  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.056   0.863   0.107  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.455   0.382   0.497  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.403   2.356   4.465  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.021  -3.244  -0.223  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.199  -1.936   0.184  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.316   2.423   2.939  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.939   1.046   2.389  1.00  0.00           C  
HETATM   16  C   UNL     1       4.704  -0.380   2.445  1.00  0.00           C  
HETATM   17  C   UNL     1       6.188  -0.056   2.659  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.687  -5.825  -0.954  1.00  0.00           C  
HETATM   19  C   UNL     1       2.301   1.050  -2.185  1.00  0.00           C  
HETATM   20  C   UNL     1       1.290   1.868  -1.716  1.00  0.00           C  
HETATM   21  C   UNL     1       1.510   3.225  -1.570  1.00  0.00           C  
HETATM   22  C   UNL     1       3.757   2.947  -2.357  1.00  0.00           C  
HETATM   23  C   UNL     1       4.474  -0.556   0.942  1.00  0.00           C  
HETATM   24  C   UNL     1       6.856  -1.442   0.791  1.00  0.00           C  
HETATM   25  C   UNL     1       6.415  -3.753   0.754  1.00  0.00           C  
HETATM   26  C   UNL     1       5.069  -3.020   0.962  1.00  0.00           C  
HETATM   27  C   UNL     1       5.383  -1.625   0.377  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.052   1.281  -1.365  1.00  0.00           C  
HETATM   29  C   UNL     1       3.536   1.589  -2.503  1.00  0.00           C  
HETATM   30  C   UNL     1       2.743   3.766  -1.893  1.00  0.00           C  
HETATM   31  F   UNL     1       4.526   0.788  -2.957  1.00  0.00           F  
HETATM   32  F   UNL     1       2.957   5.093  -1.751  1.00  0.00           F  
HETATM   33  N   UNL     1      -3.739   1.136   0.941  1.00  0.00           N  
HETATM   34  N   UNL     1       0.907  -0.223   0.309  1.00  0.00           N  
HETATM   35  O   UNL     1       6.960  -1.156   2.187  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.203  -4.801  -1.825  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.797   1.581  -1.244  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.866  -0.659  -0.392  1.00  0.00           O  
HETATM   39  O   UNL     1       2.579   1.217   0.556  1.00  0.00           O  
HETATM   40  O   UNL     1       3.092  -0.936   0.713  1.00  0.00           O  
HETATM   41  O   UNL     1       7.433  -2.755   0.601  1.00  0.00           O  
HETATM   42  S   UNL     1      -4.982   0.771  -0.091  1.00  0.00           S  
HETATM   43  H   UNL     1      -3.447  -2.679  -3.161  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.777  -0.351  -2.435  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.430   2.120   2.658  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.939   3.828   2.761  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.609   2.894   1.282  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.060   2.392   0.984  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.554   1.847  -0.637  1.00  0.00           H  
HETATM   50  H   UNL     1       0.221   1.715   0.728  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.437   0.001   1.518  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.162   1.630   4.754  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.437   2.054   4.871  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.671   3.338   4.857  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.372  -4.055   0.397  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.690  -1.724   1.122  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.556   3.149   2.650  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.019   0.705   2.863  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.741   0.338   2.602  1.00  0.00           H  
HETATM   60  H   UNL     1       4.449  -1.302   2.968  1.00  0.00           H  
HETATM   61  H   UNL     1       4.089   0.438   2.819  1.00  0.00           H  
HETATM   62  H   UNL     1       6.452   0.843   2.103  1.00  0.00           H  
HETATM   63  H   UNL     1       6.380   0.099   3.721  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.189  -5.746   0.012  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.763  -5.709  -0.819  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.479  -6.802  -1.391  1.00  0.00           H  
HETATM   67  H   UNL     1       2.128  -0.010  -2.299  1.00  0.00           H  
HETATM   68  H   UNL     1       0.720   3.864  -1.204  1.00  0.00           H  
HETATM   69  H   UNL     1       4.721   3.368  -2.605  1.00  0.00           H  
HETATM   70  H   UNL     1       4.674   0.388   0.437  1.00  0.00           H  
HETATM   71  H   UNL     1       7.354  -0.691   0.178  1.00  0.00           H  
HETATM   72  H   UNL     1       6.635  -4.376   1.622  1.00  0.00           H  
HETATM   73  H   UNL     1       6.364  -4.372  -0.141  1.00  0.00           H  
HETATM   74  H   UNL     1       4.269  -3.506   0.405  1.00  0.00           H  
HETATM   75  H   UNL     1       4.821  -2.952   2.021  1.00  0.00           H  
HETATM   76  H   UNL     1       5.304  -1.652  -0.710  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.242   0.409  -1.990  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.830   2.026  -1.533  1.00  0.00           H  
HETATM   79  H   UNL     1       0.610  -1.146   0.286  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.847  -0.409  -1.326  1.00  0.00           H  
CONECT    1   12   12    2   36                                       
CONECT    2    3    3    1   43                                       
CONECT    3    4    2    2   44                                       
CONECT    4   42   13   13    3                                       
CONECT    5   14   45   46   47                                       
CONECT    6   10   33   48   49                                       
CONECT    7   40   39   39   34                                       
CONECT    8   42   42                                                 
CONECT    9   34   10   28   50                                       
CONECT   10    9   38    6   51                                       
CONECT   11   14   52   53   54                                       
CONECT   12   13    1    1   55                                       
CONECT   13    4    4   12   56                                       
CONECT   14    5   11   15   57                                       
CONECT   15   14   33   58   59                                       
CONECT   16   17   23   60   61                                       
CONECT   17   35   16   62   63                                       
CONECT   18   36   64   65   66                                       
CONECT   19   29   29   20   67                                       
CONECT   20   21   21   19   28                                       
CONECT   21   30   20   20   68                                       
CONECT   22   30   30   29   69                                       
CONECT   23   16   27   40   70                                       
CONECT   24   35   41   27   71                                       
CONECT   25   41   26   72   73                                       
CONECT   26   27   25   74   75                                       
CONECT   27   24   26   23   76                                       
CONECT   28   20    9   77   78                                       
CONECT   29   22   31   19   19                                       
CONECT   30   32   22   22   21                                       
CONECT   31   29                                                      
CONECT   32   30                                                      
CONECT   33    6   15   42                                            
CONECT   34    7    9   79                                            
CONECT   35   24   17                                                 
CONECT   36    1   18                                                 
CONECT   37   42   42                                                 
CONECT   38   10   80                                                 
CONECT   39    7    7                                                 
CONECT   40   23    7                                                 
CONECT   41   24   25                                                 
CONECT   42   33   37   37    8                                       
CONECT   42    8    4                                                 
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   34                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
