COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.681   1.871  -0.571  1.00  0.00           C  
HETATM    2  N   UNL     1       3.682   2.033  -1.459  1.00  0.00           N  
HETATM    3  C   UNL     1       4.948   2.634  -1.034  1.00  0.00           C  
HETATM    4  O   UNL     1       2.828   2.228   0.582  1.00  0.00           O  
HETATM    5  C   UNL     1       5.884   1.552  -0.560  1.00  0.00           C  
HETATM    6  C   UNL     1       6.802   0.991  -1.352  1.00  0.00           C  
HETATM    7  S   UNL     1       7.671  -0.215  -0.406  1.00  0.00           S  
HETATM    8  C   UNL     1       6.713   0.154   0.961  1.00  0.00           C  
HETATM    9  N   UNL     1       5.867   1.085   0.673  1.00  0.00           N  
HETATM   10  C   UNL     1       6.842  -0.506   2.309  1.00  0.00           C  
HETATM   11  C   UNL     1       6.593  -2.009   2.166  1.00  0.00           C  
HETATM   12  C   UNL     1       8.250  -0.272   2.859  1.00  0.00           C  
HETATM   13  C   UNL     1       3.503   1.609  -2.850  1.00  0.00           C  
HETATM   14  N   UNL     1       1.516   1.318  -0.962  1.00  0.00           N  
HETATM   15  C   UNL     1       0.426   1.147   0.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.469   0.021  -0.447  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.396  -0.396  -1.583  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.386   2.441   0.088  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.423   2.319   1.206  1.00  0.00           C  
HETATM   20  C   UNL     1       0.552   3.612   0.388  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.851  -0.204   1.682  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.758  -0.439   0.235  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.287  -0.455  -0.185  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.556  -1.573   0.562  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.130  -1.699   0.021  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.489   0.679  -0.511  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.960   0.617  -0.192  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.464   1.323   0.885  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.814   1.266   1.179  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.660   0.503   0.395  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.156  -0.202  -0.682  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.808  -0.140  -0.979  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.687   0.802   0.133  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.476  -2.958   0.596  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.119  -3.149  -0.030  1.00  0.00           C  
HETATM   36  C   UNL     1       0.998  -2.582   0.554  1.00  0.00           C  
HETATM   37  C   UNL     1       2.243  -2.758  -0.020  1.00  0.00           C  
HETATM   38  C   UNL     1       2.371  -3.501  -1.179  1.00  0.00           C  
HETATM   39  C   UNL     1       1.254  -4.068  -1.763  1.00  0.00           C  
HETATM   40  C   UNL     1       0.010  -3.897  -1.186  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.352  -0.522   0.414  1.00  0.00           N  
HETATM   42  H   UNL     1       5.400   3.162  -1.874  1.00  0.00           H  
HETATM   43  H   UNL     1       4.763   3.336  -0.221  1.00  0.00           H  
HETATM   44  H   UNL     1       6.980   1.235  -2.389  1.00  0.00           H  
HETATM   45  H   UNL     1       6.109  -0.081   2.994  1.00  0.00           H  
HETATM   46  H   UNL     1       7.326  -2.435   1.481  1.00  0.00           H  
HETATM   47  H   UNL     1       6.687  -2.487   3.141  1.00  0.00           H  
HETATM   48  H   UNL     1       5.590  -2.176   1.774  1.00  0.00           H  
HETATM   49  H   UNL     1       8.427   0.798   2.960  1.00  0.00           H  
HETATM   50  H   UNL     1       8.344  -0.751   3.834  1.00  0.00           H  
HETATM   51  H   UNL     1       8.983  -0.698   2.173  1.00  0.00           H  
HETATM   52  H   UNL     1       3.096   2.435  -3.433  1.00  0.00           H  
HETATM   53  H   UNL     1       4.465   1.310  -3.266  1.00  0.00           H  
HETATM   54  H   UNL     1       2.814   0.765  -2.887  1.00  0.00           H  
HETATM   55  H   UNL     1       1.399   1.033  -1.882  1.00  0.00           H  
HETATM   56  H   UNL     1       0.841   0.913   0.982  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.893   2.615  -0.861  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.922   2.064   2.140  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.947   3.267   1.321  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.139   1.536   0.953  1.00  0.00           H  
HETATM   61  H   UNL     1       1.291   3.700  -0.409  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.027   4.534   0.449  1.00  0.00           H  
HETATM   63  H   UNL     1       1.059   3.438   1.337  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.434   0.680   1.933  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.216  -1.398  -0.007  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.217  -0.630  -1.258  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.521  -1.337   1.625  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.085  -2.514   0.415  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.159  -1.769  -1.066  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.090   1.644  -0.201  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.345   0.553  -1.584  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.803   1.918   1.498  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.207   1.817   2.020  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.714   0.459   0.625  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.817  -0.798  -1.293  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.414  -0.691  -1.820  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.714   1.024   1.074  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.367  -2.850   1.675  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.102  -3.824   0.379  1.00  0.00           H  
HETATM   80  H   UNL     1       0.898  -2.002   1.460  1.00  0.00           H  
HETATM   81  H   UNL     1       3.116  -2.315   0.437  1.00  0.00           H  
HETATM   82  H   UNL     1       3.344  -3.638  -1.627  1.00  0.00           H  
HETATM   83  H   UNL     1       1.354  -4.648  -2.669  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.862  -4.344  -1.640  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.472  -0.133   1.295  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.809  -0.253   1.995  1.00  0.00           H  
CONECT    1   14    2    4    4                                       
CONECT    2    1   13    3                                            
CONECT    3    2    5   42   43                                       
CONECT    4    1    1                                                 
CONECT    5    3    9    6    6                                       
CONECT    6    5    5    7   44                                       
CONECT    7    6    8                                                 
CONECT    8    7   10    9    9                                       
CONECT    9    5    8    8                                            
CONECT   10    8   11   12   45                                       
CONECT   11   10   46   47   48                                       
CONECT   12   10   49   50   51                                       
CONECT   13    2   52   53   54                                       
CONECT   14   15    1   55                                            
CONECT   15   16   14   18   56                                       
CONECT   16   15   41   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   57                                       
CONECT   19   18   58   59   60                                       
CONECT   20   18   61   62   63                                       
CONECT   21   22   64   86                                            
CONECT   22   21   26   23   65                                       
CONECT   23   22   24   33   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   41   34   69                                       
CONECT   26   22   27   70   71                                       
CONECT   27   26   32   32   28                                       
CONECT   28   27   29   29   72                                       
CONECT   29   28   28   30   73                                       
CONECT   30   29   31   31   74                                       
CONECT   31   30   30   32   75                                       
CONECT   32   27   27   31   76                                       
CONECT   33   23   77                                                 
CONECT   34   25   35   78   79                                       
CONECT   35   34   40   40   36                                       
CONECT   36   35   37   37   80                                       
CONECT   37   36   36   38   81                                       
CONECT   38   37   39   39   82                                       
CONECT   39   38   38   40   83                                       
CONECT   40   35   35   39   84                                       
CONECT   41   25   16   85                                            
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   21                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
