COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.952  -2.728   2.792  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.555  -1.291   2.449  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.282  -2.419   1.452  1.00  0.00           C  
HETATM    4  S   UNL     1      -5.560  -2.947   1.235  1.00  0.00           S  
HETATM    5  O   UNL     1      -4.698  -2.192   2.075  1.00  0.00           O  
HETATM    6  O   UNL     1      -5.476  -4.364   1.183  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.168  -2.458  -0.298  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.129  -1.144  -0.597  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.469  -0.324   0.229  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.664  -0.697  -1.953  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.636  -0.803  -3.127  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.289   0.568  -2.545  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.353   1.293  -1.722  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.327   2.787  -2.055  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.226  -0.891  -2.228  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.408  -0.865  -1.140  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.863  -1.037  -0.029  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.937  -0.623  -1.328  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.118  -1.855  -0.923  1.00  0.00           C  
HETATM   20  C   UNL     1       1.097  -1.292  -0.161  1.00  0.00           C  
HETATM   21  C   UNL     1       0.822   0.207   0.052  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.526   0.484  -0.451  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.292   1.550  -0.179  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.445   1.544  -0.553  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.787   2.753   0.566  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.651   3.934   0.181  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.939   3.885   0.416  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.859   4.970  -0.073  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.126   4.349  -0.609  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.062   3.409  -1.520  1.00  0.00           C  
HETATM   31  N   UNL     1       0.606   3.017   0.198  1.00  0.00           N  
HETATM   32  C   UNL     1       1.415   3.677   1.049  1.00  0.00           C  
HETATM   33  O   UNL     1       0.989   4.055   2.124  1.00  0.00           O  
HETATM   34  C   UNL     1       2.820   3.943   0.678  1.00  0.00           C  
HETATM   35  N   UNL     1       3.413   3.595  -0.447  1.00  0.00           N  
HETATM   36  N   UNL     1       4.637   3.985  -0.438  1.00  0.00           N  
HETATM   37  C   UNL     1       4.916   4.623   0.718  1.00  0.00           C  
HETATM   38  C   UNL     1       3.783   4.625   1.459  1.00  0.00           C  
HETATM   39  C   UNL     1       5.593   3.768  -1.527  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.153  -2.477   0.196  1.00  0.00           C  
HETATM   41  O   UNL     1       2.285  -1.468  -0.935  1.00  0.00           O  
HETATM   42  C   UNL     1       3.460  -1.510  -0.259  1.00  0.00           C  
HETATM   43  C   UNL     1       3.503  -1.277   1.091  1.00  0.00           C  
HETATM   44  C   UNL     1       4.725  -1.326   1.766  1.00  0.00           C  
HETATM   45  N   UNL     1       5.851  -1.592   1.138  1.00  0.00           N  
HETATM   46  C   UNL     1       5.876  -1.828  -0.181  1.00  0.00           C  
HETATM   47  C   UNL     1       4.673  -1.801  -0.926  1.00  0.00           C  
HETATM   48  C   UNL     1       4.700  -2.054  -2.305  1.00  0.00           C  
HETATM   49  C   UNL     1       5.883  -2.331  -2.920  1.00  0.00           C  
HETATM   50  C   UNL     1       7.075  -2.367  -2.193  1.00  0.00           C  
HETATM   51  C   UNL     1       7.083  -2.110  -0.840  1.00  0.00           C  
HETATM   52  O   UNL     1       4.752  -1.094   3.101  1.00  0.00           O  
HETATM   53  C   UNL     1       6.026  -1.155   3.745  1.00  0.00           C  
HETATM   54  C   UNL     1       6.674   0.230   3.726  1.00  0.00           C  
HETATM   55  C   UNL     1       5.844  -1.613   5.193  1.00  0.00           C  
HETATM   56  O   UNL     1       8.242  -2.646  -2.830  1.00  0.00           O  
HETATM   57  C   UNL     1       8.171  -2.890  -4.236  1.00  0.00           C  
HETATM   58  C   UNL     1       8.377  -2.150  -0.068  1.00  0.00           C  
HETATM   59  H   UNL     1      -7.359  -3.249   3.543  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.014  -2.974   2.779  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.355  -0.591   2.211  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.700  -0.867   2.976  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.966  -3.117  -0.980  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.221  -1.055  -4.103  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.630  -1.199  -2.922  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.636   1.215  -3.139  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.336   0.886  -1.959  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.148   1.154  -0.660  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.365   2.918  -3.136  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.189   3.275  -1.601  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.886  -1.029  -3.126  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.729  -0.361  -2.365  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.706  -2.503  -0.273  1.00  0.00           H  
HETATM   74  H   UNL     1       0.208  -2.401  -1.808  1.00  0.00           H  
HETATM   75  H   UNL     1       1.200  -1.794   0.801  1.00  0.00           H  
HETATM   76  H   UNL     1       0.877   0.446   1.114  1.00  0.00           H  
HETATM   77  H   UNL     1       1.552   0.799  -0.500  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.858   2.578   1.640  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.206   4.801  -0.275  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.349   3.028   0.935  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.103   5.639   0.753  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.367   5.535  -0.865  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.085   4.679  -0.240  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.101   3.083  -1.890  1.00  0.00           H  
HETATM   85  H   UNL     1       0.946   2.716  -0.659  1.00  0.00           H  
HETATM   86  H   UNL     1       5.865   5.056   0.998  1.00  0.00           H  
HETATM   87  H   UNL     1       3.643   5.055   2.440  1.00  0.00           H  
HETATM   88  H   UNL     1       5.549   4.607  -2.222  1.00  0.00           H  
HETATM   89  H   UNL     1       6.599   3.688  -1.117  1.00  0.00           H  
HETATM   90  H   UNL     1       5.341   2.847  -2.053  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.967  -1.757   0.284  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.548  -2.236  -0.678  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.566  -3.480   0.086  1.00  0.00           H  
HETATM   94  H   UNL     1       2.595  -1.056   1.632  1.00  0.00           H  
HETATM   95  H   UNL     1       3.785  -2.030  -2.877  1.00  0.00           H  
HETATM   96  H   UNL     1       5.899  -2.526  -3.982  1.00  0.00           H  
HETATM   97  H   UNL     1       6.666  -1.863   3.217  1.00  0.00           H  
HETATM   98  H   UNL     1       7.646   0.184   4.216  1.00  0.00           H  
HETATM   99  H   UNL     1       6.804   0.557   2.694  1.00  0.00           H  
HETATM  100  H   UNL     1       6.035   0.938   4.253  1.00  0.00           H  
HETATM  101  H   UNL     1       5.382  -2.600   5.207  1.00  0.00           H  
HETATM  102  H   UNL     1       6.816  -1.660   5.684  1.00  0.00           H  
HETATM  103  H   UNL     1       5.205  -0.905   5.721  1.00  0.00           H  
HETATM  104  H   UNL     1       7.523  -3.746  -4.424  1.00  0.00           H  
HETATM  105  H   UNL     1       7.766  -2.011  -4.738  1.00  0.00           H  
HETATM  106  H   UNL     1       9.170  -3.100  -4.619  1.00  0.00           H  
HETATM  107  H   UNL     1       8.551  -3.163   0.296  1.00  0.00           H  
HETATM  108  H   UNL     1       9.198  -1.851  -0.719  1.00  0.00           H  
HETATM  109  H   UNL     1       8.316  -1.466   0.779  1.00  0.00           H  
CONECT    1    3    2   59   60                                       
CONECT    2    3    1   61   62                                       
CONECT    3   40    4    1    2                                       
CONECT    4    5    5    7    3                                       
CONECT    4    6    6                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    8    4   63                                            
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10   12    8   11   15                                       
CONECT   11   12   10   64   65                                       
CONECT   12   13   10   11   66                                       
CONECT   13   14   12   67   68                                       
CONECT   14   30   13   69   70                                       
CONECT   15   10   16   71                                            
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   22   16   19   72                                       
CONECT   19   18   20   73   74                                       
CONECT   20   21   19   41   75                                       
CONECT   21   22   20   76   77                                       
CONECT   22   23   21   18                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   31   23   78                                       
CONECT   26   27   27   25   79                                       
CONECT   27   28   26   26   80                                       
CONECT   28   29   27   81   82                                       
CONECT   29   28   30   30   83                                       
CONECT   30   29   29   14   84                                       
CONECT   31   25   32   85                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   38   35   35                                       
CONECT   35   34   34   36                                            
CONECT   36   37   35   39                                            
CONECT   37   38   38   36   86                                       
CONECT   38   34   37   37   87                                       
CONECT   39   36   88   89   90                                       
CONECT   40    3   91   92   93                                       
CONECT   41   20   42                                                 
CONECT   42   41   43   43   47                                       
CONECT   43   42   42   44   94                                       
CONECT   44   43   45   45   52                                       
CONECT   45   46   44   44                                            
CONECT   46   47   45   51   51                                       
CONECT   47   42   48   48   46                                       
CONECT   48   47   47   49   95                                       
CONECT   49   48   50   50   96                                       
CONECT   50   49   49   51   56                                       
CONECT   51   46   46   50   58                                       
CONECT   52   44   53                                                 
CONECT   53   52   55   54   97                                       
CONECT   54   53   98   99  100                                       
CONECT   55   53  101  102  103                                       
CONECT   56   50   57                                                 
CONECT   57   56  104  105  106                                       
CONECT   58   51  107  108  109                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    2                                                      
CONECT   63    7                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   43                                                      
CONECT   95   48                                                      
CONECT   96   49                                                      
CONECT   97   53                                                      
CONECT   98   54                                                      
CONECT   99   54                                                      
CONECT  100   54                                                      
CONECT  101   55                                                      
CONECT  102   55                                                      
CONECT  103   55                                                      
CONECT  104   57                                                      
CONECT  105   57                                                      
CONECT  106   57                                                      
CONECT  107   58                                                      
CONECT  108   58                                                      
CONECT  109   58                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
