COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.485   1.200  -0.577  1.00  0.00           N  
HETATM    2  C   UNL     1       9.680   2.520  -1.182  1.00  0.00           C  
HETATM    3  C   UNL     1      10.853   3.362  -0.676  1.00  0.00           C  
HETATM    4  C   UNL     1      10.915   2.717  -2.063  1.00  0.00           C  
HETATM    5  S   UNL     1       7.859  -0.961   0.096  1.00  0.00           S  
HETATM    6  N   UNL     1       7.176   1.150  -1.090  1.00  0.00           N  
HETATM    7  C   UNL     1       8.234   0.616  -0.584  1.00  0.00           C  
HETATM    8  C   UNL     1       6.023   0.454  -1.020  1.00  0.00           C  
HETATM    9  C   UNL     1       6.173  -0.782  -0.383  1.00  0.00           C  
HETATM   10  C   UNL     1       5.080  -1.629  -0.224  1.00  0.00           C  
HETATM   11  C   UNL     1       3.840  -1.256  -0.694  1.00  0.00           C  
HETATM   12  C   UNL     1       3.678  -0.033  -1.327  1.00  0.00           C  
HETATM   13  C   UNL     1       4.744   0.814  -1.492  1.00  0.00           C  
HETATM   14  S   UNL     1       2.460  -2.333  -0.491  1.00  0.00           S  
HETATM   15  O   UNL     1       1.593  -2.087  -1.590  1.00  0.00           O  
HETATM   16  O   UNL     1       2.993  -3.617  -0.194  1.00  0.00           O  
HETATM   17  N   UNL     1       1.648  -1.839   0.865  1.00  0.00           N  
HETATM   18  C   UNL     1       1.907  -2.489   2.152  1.00  0.00           C  
HETATM   19  C   UNL     1       2.551  -1.485   3.110  1.00  0.00           C  
HETATM   20  C   UNL     1       2.746  -2.138   4.480  1.00  0.00           C  
HETATM   21  C   UNL     1       3.909  -1.049   2.555  1.00  0.00           C  
HETATM   22  C   UNL     1       0.669  -0.752   0.778  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.732  -1.340   0.597  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.092  -2.080   1.765  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.736  -0.206   0.381  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.056  -0.772   0.090  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.957  -0.055  -0.610  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.675   1.061  -1.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.169  -0.576  -0.878  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.817   0.651   1.645  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.175   3.018   0.915  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.997   4.108   0.682  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.356   4.016   0.930  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.891   2.834   1.412  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.068   1.745   1.645  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.712   1.837   1.391  1.00  0.00           C  
HETATM   37  F   UNL     1      -2.473   5.261   0.211  1.00  0.00           F  
HETATM   38  F   UNL     1      -6.217   2.743   1.656  1.00  0.00           F  
HETATM   39  C   UNL     1      -6.089   0.253  -1.637  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.902   1.083  -0.662  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.935  -0.190  -1.059  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.142  -1.263  -1.820  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.413  -2.032  -0.681  1.00  0.00           C  
HETATM   44  O   UNL     1      -6.150  -2.437  -1.225  1.00  0.00           O  
HETATM   45  C   UNL     1      -6.043  -1.965  -2.586  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.918  -0.655  -2.552  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.908   0.161   0.053  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.252  -1.078   0.375  1.00  0.00           O  
HETATM   49  H   UNL     1      10.235   0.734  -0.176  1.00  0.00           H  
HETATM   50  H   UNL     1       8.769   3.046  -1.467  1.00  0.00           H  
HETATM   51  H   UNL     1      10.714   4.442  -0.629  1.00  0.00           H  
HETATM   52  H   UNL     1      11.479   2.934   0.107  1.00  0.00           H  
HETATM   53  H   UNL     1      11.583   1.865  -2.193  1.00  0.00           H  
HETATM   54  H   UNL     1      10.817   3.374  -2.928  1.00  0.00           H  
HETATM   55  H   UNL     1       5.205  -2.582   0.269  1.00  0.00           H  
HETATM   56  H   UNL     1       2.703   0.254  -1.694  1.00  0.00           H  
HETATM   57  H   UNL     1       4.603   1.764  -1.987  1.00  0.00           H  
HETATM   58  H   UNL     1       0.968  -2.844   2.576  1.00  0.00           H  
HETATM   59  H   UNL     1       2.581  -3.333   2.004  1.00  0.00           H  
HETATM   60  H   UNL     1       1.904  -0.613   3.212  1.00  0.00           H  
HETATM   61  H   UNL     1       3.393  -3.010   4.378  1.00  0.00           H  
HETATM   62  H   UNL     1       3.204  -1.423   5.162  1.00  0.00           H  
HETATM   63  H   UNL     1       1.778  -2.448   4.875  1.00  0.00           H  
HETATM   64  H   UNL     1       4.428  -0.443   3.298  1.00  0.00           H  
HETATM   65  H   UNL     1       4.507  -1.931   2.325  1.00  0.00           H  
HETATM   66  H   UNL     1       3.760  -0.464   1.648  1.00  0.00           H  
HETATM   67  H   UNL     1       0.700  -0.161   1.693  1.00  0.00           H  
HETATM   68  H   UNL     1       0.909  -0.116  -0.074  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.739  -2.002  -0.269  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.106  -1.552   2.576  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.413   0.411  -0.457  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.281  -1.663   0.401  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.225   0.056   2.463  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.819   1.000   1.912  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.115   3.090   0.722  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.997   4.865   0.748  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.485   0.823   2.022  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.506   0.929  -2.262  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.238   1.538   0.072  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.438   1.862  -1.204  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.144   0.673  -1.692  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.852  -0.599  -0.636  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.757  -1.898  -2.458  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.994  -2.896  -0.359  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.008  -1.733  -2.837  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.459  -2.692  -3.283  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.148  -0.217  -3.523  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.370   0.638   0.918  1.00  0.00           H  
CONECT    1    2    7   49                                            
CONECT    2    4    3    1   50                                       
CONECT    3    4    2   51   52                                       
CONECT    4    3    2   53   54                                       
CONECT    5    9    7                                                 
CONECT    6    7    7    8                                            
CONECT    7    5    1    6    6                                       
CONECT    8    9    6   13   13                                       
CONECT    9    5   10   10    8                                       
CONECT   10    9    9   11   55                                       
CONECT   11   10   14   12   12                                       
CONECT   12   11   11   13   56                                       
CONECT   13    8    8   12   57                                       
CONECT   14   16   16   17   11                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   18   14   22                                            
CONECT   18   19   17   58   59                                       
CONECT   19   21   20   18   60                                       
CONECT   20   19   61   62   63                                       
CONECT   21   19   64   65   66                                       
CONECT   22   17   23   67   68                                       
CONECT   23   25   22   24   69                                       
CONECT   24   23   70                                                 
CONECT   25   26   23   30   71                                       
CONECT   26   27   25   72                                            
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   39   27                                                 
CONECT   30   25   36   73   74                                       
CONECT   31   36   36   32   75                                       
CONECT   32   33   33   31   37                                       
CONECT   33   34   32   32   76                                       
CONECT   34   38   35   35   33                                       
CONECT   35   34   34   36   77                                       
CONECT   36   35   30   31   31                                       
CONECT   37   32                                                      
CONECT   38   34                                                      
CONECT   39   46   29   40   78                                       
CONECT   40   39   47   79   80                                       
CONECT   41   42   47   81   82                                       
CONECT   42   46   43   41   83                                       
CONECT   43   42   44   48   84                                       
CONECT   44   45   43                                                 
CONECT   45   46   44   85   86                                       
CONECT   46   42   45   39   87                                       
CONECT   47   41   48   40   88                                       
CONECT   48   43   47                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
