COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.843   4.405  -2.162  1.00  0.00           O  
HETATM    2  S   UNL     1       3.241   3.364  -1.280  1.00  0.00           S  
HETATM    3  O   UNL     1       4.445   2.652  -1.533  1.00  0.00           O  
HETATM    4  C   UNL     1       3.282   4.008   0.415  1.00  0.00           C  
HETATM    5  C   UNL     1       1.879   2.178  -1.114  1.00  0.00           C  
HETATM    6  C   UNL     1       0.628   2.905  -0.616  1.00  0.00           C  
HETATM    7  C   UNL     1       1.590   1.538  -2.473  1.00  0.00           C  
HETATM    8  C   UNL     1       2.269   1.090  -0.111  1.00  0.00           C  
HETATM    9  N   UNL     1       3.468   0.395  -0.587  1.00  0.00           N  
HETATM   10  C   UNL     1       4.585   0.384   0.168  1.00  0.00           C  
HETATM   11  O   UNL     1       4.570   0.867   1.280  1.00  0.00           O  
HETATM   12  C   UNL     1       5.852  -0.228  -0.371  1.00  0.00           C  
HETATM   13  O   UNL     1       6.887  -0.118   0.608  1.00  0.00           O  
HETATM   14  C   UNL     1       7.999  -0.684   0.069  1.00  0.00           C  
HETATM   15  C   UNL     1       9.188  -0.731   0.791  1.00  0.00           C  
HETATM   16  C   UNL     1      10.295  -1.318   0.199  1.00  0.00           C  
HETATM   17  C   UNL     1      10.183  -1.834  -1.079  1.00  0.00           C  
HETATM   18  N   UNL     1       9.041  -1.774  -1.735  1.00  0.00           N  
HETATM   19  C   UNL     1       7.964  -1.229  -1.206  1.00  0.00           C  
HETATM   20  C   UNL     1       1.138   0.104   0.026  1.00  0.00           C  
HETATM   21  O   UNL     1       1.161  -0.936  -0.598  1.00  0.00           O  
HETATM   22  N   UNL     1       0.101   0.377   0.842  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.940  -0.629   1.066  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.756  -1.254   2.451  1.00  0.00           C  
HETATM   25  C   UNL     1       0.546  -2.011   2.491  1.00  0.00           C  
HETATM   26  C   UNL     1       1.707  -1.370   2.881  1.00  0.00           C  
HETATM   27  C   UNL     1       2.901  -2.064   2.919  1.00  0.00           C  
HETATM   28  C   UNL     1       2.935  -3.401   2.566  1.00  0.00           C  
HETATM   29  C   UNL     1       1.774  -4.042   2.178  1.00  0.00           C  
HETATM   30  C   UNL     1       0.579  -3.349   2.144  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.296   0.024   0.985  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.402   1.216   1.142  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.519  -0.812   0.709  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.706   0.053   0.680  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.801  -0.781   0.173  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.461  -1.264  -1.214  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.624  -0.682  -1.871  1.00  0.00           O  
HETATM   38  N   UNL     1      -6.087  -2.344  -1.723  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.757  -2.813  -3.071  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.273  -3.183  -3.133  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.049  -1.704  -4.084  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.603  -4.044  -3.404  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.095   0.034   0.124  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.447   0.499   1.539  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.264   1.281   2.115  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.995   2.517   1.271  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.027   0.377   2.078  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.687   1.388   1.505  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.411   2.629   0.652  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.240   3.406   1.257  1.00  0.00           C  
HETATM   51  H   UNL     1       3.476   3.191   1.110  1.00  0.00           H  
HETATM   52  H   UNL     1       4.073   4.754   0.501  1.00  0.00           H  
HETATM   53  H   UNL     1       2.322   4.467   0.652  1.00  0.00           H  
HETATM   54  H   UNL     1       0.803   3.280   0.392  1.00  0.00           H  
HETATM   55  H   UNL     1       0.404   3.739  -1.281  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.214   2.213  -0.605  1.00  0.00           H  
HETATM   57  H   UNL     1       0.771   0.826  -2.373  1.00  0.00           H  
HETATM   58  H   UNL     1       1.312   2.313  -3.188  1.00  0.00           H  
HETATM   59  H   UNL     1       2.481   1.020  -2.828  1.00  0.00           H  
HETATM   60  H   UNL     1       2.474   1.545   0.858  1.00  0.00           H  
HETATM   61  H   UNL     1       3.458  -0.057  -1.445  1.00  0.00           H  
HETATM   62  H   UNL     1       5.679  -1.280  -0.600  1.00  0.00           H  
HETATM   63  H   UNL     1       6.152   0.296  -1.278  1.00  0.00           H  
HETATM   64  H   UNL     1       9.246  -0.319   1.787  1.00  0.00           H  
HETATM   65  H   UNL     1      11.234  -1.371   0.730  1.00  0.00           H  
HETATM   66  H   UNL     1      11.042  -2.293  -1.545  1.00  0.00           H  
HETATM   67  H   UNL     1       7.046  -1.198  -1.775  1.00  0.00           H  
HETATM   68  H   UNL     1       0.044   1.240   1.281  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.865  -1.406   0.304  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.743  -0.467   3.205  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.581  -1.937   2.653  1.00  0.00           H  
HETATM   72  H   UNL     1       1.680  -0.326   3.156  1.00  0.00           H  
HETATM   73  H   UNL     1       3.808  -1.563   3.222  1.00  0.00           H  
HETATM   74  H   UNL     1       3.868  -3.943   2.595  1.00  0.00           H  
HETATM   75  H   UNL     1       1.800  -5.086   1.902  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.328  -3.850   1.841  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.633  -1.560   1.493  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.409  -1.310  -0.255  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.937  -1.638   0.832  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.756  -2.809  -1.198  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.670  -2.306  -2.896  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.065  -3.973  -2.412  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.028  -3.532  -4.136  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.803  -2.054  -5.086  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.106  -1.441  -4.039  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.446  -0.828  -3.846  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.395  -4.834  -2.683  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.660  -3.781  -3.360  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.357  -4.393  -4.407  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.955   0.902  -0.520  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.902  -0.586  -0.267  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.644  -0.371   2.166  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.472   1.578   3.144  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.753   2.217   0.251  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.158   3.073   1.693  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.181   0.900   2.525  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.228  -0.536   2.640  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.520   0.832   1.076  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.941   1.695   2.519  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.160   2.324  -0.363  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.298   3.262   0.634  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.045   4.295   0.658  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.487   3.701   2.277  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   51   52   53                                       
CONECT    5    2    6    7    8                                       
CONECT    6    5   54   55   56                                       
CONECT    7    5   57   58   59                                       
CONECT    8    5    9   20   60                                       
CONECT    9    8   10   61                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   62   63                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   64                                       
CONECT   16   15   17   17   65                                       
CONECT   17   16   16   18   66                                       
CONECT   18   17   19   19                                            
CONECT   19   14   18   18   67                                       
CONECT   20    8   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   68                                            
CONECT   23   22   24   31   69                                       
CONECT   24   23   25   70   71                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   72                                       
CONECT   27   26   28   28   73                                       
CONECT   28   27   27   29   74                                       
CONECT   29   28   30   30   75                                       
CONECT   30   25   29   29   76                                       
CONECT   31   23   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   77   78                                       
CONECT   34   33   35   47                                            
CONECT   35   34   36   43   79                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   80                                            
CONECT   39   38   40   41   42                                       
CONECT   40   39   81   82   83                                       
CONECT   41   39   84   85   86                                       
CONECT   42   39   87   88   89                                       
CONECT   43   35   44   90   91                                       
CONECT   44   43   45   48   92                                       
CONECT   45   44   46   47   93                                       
CONECT   46   45   50   94   95                                       
CONECT   47   34   45   96   97                                       
CONECT   48   44   49   98   99                                       
CONECT   49   48   50  100  101                                       
CONECT   50   46   49  102  103                                       
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   19                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   38                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   50                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
