COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.921   3.926  -1.905  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.396   2.692  -1.274  1.00  0.00           N  
HETATM    3  S   UNL     1      -7.016   2.464  -1.018  1.00  0.00           S  
HETATM    4  O   UNL     1      -7.545   3.779  -0.924  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.603   1.648  -2.528  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.074   1.570   0.086  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.482   1.708  -0.889  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.168   2.055  -0.609  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.253   1.074  -0.223  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.853   1.445   0.075  1.00  0.00           C  
HETATM   11  N   UNL     1       0.031   0.498   0.448  1.00  0.00           N  
HETATM   12  C   UNL     1       1.418   0.865   0.743  1.00  0.00           C  
HETATM   13  C   UNL     1       1.524   1.328   2.198  1.00  0.00           C  
HETATM   14  C   UNL     1       0.728   2.594   2.381  1.00  0.00           C  
HETATM   15  C   UNL     1       1.330   3.823   2.183  1.00  0.00           C  
HETATM   16  C   UNL     1       0.600   4.985   2.351  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.731   4.918   2.717  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.333   3.690   2.915  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.604   2.527   2.742  1.00  0.00           C  
HETATM   20  C   UNL     1       2.324  -0.349   0.527  1.00  0.00           C  
HETATM   21  O   UNL     1       1.992  -1.366   1.474  1.00  0.00           O  
HETATM   22  C   UNL     1       3.785   0.065   0.715  1.00  0.00           C  
HETATM   23  N   UNL     1       4.661  -1.068   0.390  1.00  0.00           N  
HETATM   24  C   UNL     1       6.075  -0.674   0.448  1.00  0.00           C  
HETATM   25  C   UNL     1       6.944  -1.919   0.640  1.00  0.00           C  
HETATM   26  O   UNL     1       8.304  -1.525   0.832  1.00  0.00           O  
HETATM   27  C   UNL     1       6.459  -2.694   1.867  1.00  0.00           C  
HETATM   28  C   UNL     1       6.458   0.012  -0.838  1.00  0.00           C  
HETATM   29  N   UNL     1       7.716   0.463  -1.013  1.00  0.00           N  
HETATM   30  C   UNL     1       8.088   1.129  -2.263  1.00  0.00           C  
HETATM   31  C   UNL     1       9.561   1.540  -2.203  1.00  0.00           C  
HETATM   32  C   UNL     1       9.983   2.123  -3.553  1.00  0.00           C  
HETATM   33  C   UNL     1       9.753   2.593  -1.110  1.00  0.00           C  
HETATM   34  O   UNL     1       5.634   0.158  -1.716  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.498   2.604  -0.015  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.660  -0.254  -0.119  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.980  -0.599  -0.400  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.416  -2.008  -0.291  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.536  -2.959   0.082  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.969  -4.354   0.190  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.585  -4.591   1.570  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.781  -5.264   0.008  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.909  -6.430  -0.722  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.820  -7.265  -0.889  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.602  -6.932  -0.325  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.474  -5.766   0.405  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.561  -4.929   0.567  1.00  0.00           C  
HETATM   48  O   UNL     1      -5.568  -2.308  -0.537  1.00  0.00           O  
HETATM   49  C   UNL     1      -4.892   0.387  -0.781  1.00  0.00           C  
HETATM   50  H   UNL     1      -4.719   4.673  -1.137  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.007   3.721  -2.462  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.684   4.303  -2.586  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.414   2.293  -3.386  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.075   0.704  -2.660  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.673   1.458  -2.446  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.853   3.085  -0.690  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.252  -0.428   0.520  1.00  0.00           H  
HETATM   58  H   UNL     1       1.729   1.673   0.082  1.00  0.00           H  
HETATM   59  H   UNL     1       1.130   0.553   2.855  1.00  0.00           H  
HETATM   60  H   UNL     1       2.569   1.516   2.444  1.00  0.00           H  
HETATM   61  H   UNL     1       2.370   3.875   1.897  1.00  0.00           H  
HETATM   62  H   UNL     1       1.070   5.945   2.197  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.301   5.826   2.849  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.373   3.637   3.201  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.076   1.567   2.893  1.00  0.00           H  
HETATM   66  H   UNL     1       2.182  -0.733  -0.483  1.00  0.00           H  
HETATM   67  H   UNL     1       2.095  -1.094   2.397  1.00  0.00           H  
HETATM   68  H   UNL     1       4.013   0.901   0.054  1.00  0.00           H  
HETATM   69  H   UNL     1       3.947   0.366   1.750  1.00  0.00           H  
HETATM   70  H   UNL     1       4.430  -1.457  -0.512  1.00  0.00           H  
HETATM   71  H   UNL     1       6.228   0.009   1.283  1.00  0.00           H  
HETATM   72  H   UNL     1       6.870  -2.553  -0.243  1.00  0.00           H  
HETATM   73  H   UNL     1       8.444  -0.958   1.602  1.00  0.00           H  
HETATM   74  H   UNL     1       5.398  -2.920   1.758  1.00  0.00           H  
HETATM   75  H   UNL     1       7.021  -3.624   1.954  1.00  0.00           H  
HETATM   76  H   UNL     1       6.612  -2.092   2.762  1.00  0.00           H  
HETATM   77  H   UNL     1       7.935   0.447  -3.099  1.00  0.00           H  
HETATM   78  H   UNL     1      10.172   0.666  -1.978  1.00  0.00           H  
HETATM   79  H   UNL     1       9.371   2.997  -3.779  1.00  0.00           H  
HETATM   80  H   UNL     1      11.032   2.415  -3.511  1.00  0.00           H  
HETATM   81  H   UNL     1       9.846   1.373  -4.332  1.00  0.00           H  
HETATM   82  H   UNL     1       9.452   2.177  -0.148  1.00  0.00           H  
HETATM   83  H   UNL     1      10.802   2.885  -1.068  1.00  0.00           H  
HETATM   84  H   UNL     1       9.141   3.466  -1.336  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.953  -1.015   0.179  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.617  -2.719   0.278  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.710  -4.566  -0.580  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.844  -4.379   2.341  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.444  -3.934   1.702  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.907  -5.630   1.651  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.861  -6.690  -1.162  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.920  -8.176  -1.459  1.00  0.00           H  
HETATM   93  H   UNL     1       0.249  -7.585  -0.455  1.00  0.00           H  
HETATM   94  H   UNL     1       0.478  -5.506   0.845  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.461  -4.017   1.137  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.915   0.120  -0.999  1.00  0.00           H  
HETATM   97  H   UNL     1       8.375   0.345  -0.311  1.00  0.00           H  
HETATM   98  H   UNL     1       7.469   2.016  -2.400  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    3    7    1                                            
CONECT    3    6    6    4    4                                       
CONECT    3    2    5                                                 
CONECT    4    3    3                                                 
CONECT    5    3   53   54   55                                       
CONECT    6    3    3                                                 
CONECT    7   49   49    8    2                                       
CONECT    8    9    9    7   56                                       
CONECT    9   36   10    8    8                                       
CONECT   10   11    9   35   35                                       
CONECT   11   12   10   57                                            
CONECT   12   20   13   11   58                                       
CONECT   13   12   14   59   60                                       
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   61                                       
CONECT   16   15   15   17   62                                       
CONECT   17   16   18   18   63                                       
CONECT   18   17   17   19   64                                       
CONECT   19   14   14   18   65                                       
CONECT   20   21   22   12   66                                       
CONECT   21   20   67                                                 
CONECT   22   23   20   68   69                                       
CONECT   23   24   22   70                                            
CONECT   24   23   25   28   71                                       
CONECT   25   24   27   26   72                                       
CONECT   26   25   73                                                 
CONECT   27   25   74   75   76                                       
CONECT   28   24   29   34   34                                       
CONECT   29   28   30   97                                            
CONECT   30   29   31   77   98                                       
CONECT   31   32   30   33   78                                       
CONECT   32   31   79   80   81                                       
CONECT   33   31   82   83   84                                       
CONECT   34   28   28                                                 
CONECT   35   10   10                                                 
CONECT   36   37   37    9   85                                       
CONECT   37   38   36   36   49                                       
CONECT   38   39   48   48   37                                       
CONECT   39   40   38   86                                            
CONECT   40   42   41   39   87                                       
CONECT   41   40   88   89   90                                       
CONECT   42   43   43   47   40                                       
CONECT   43   44   42   42   91                                       
CONECT   44   45   45   43   92                                       
CONECT   45   44   44   46   93                                       
CONECT   46   45   47   47   94                                       
CONECT   47   46   46   42   95                                       
CONECT   48   38   38                                                 
CONECT   49   37    7    7   96                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    8                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   36                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   49                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
