COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.634   0.480  -3.964  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.136  -0.818  -3.639  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.606  -0.999  -2.376  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.591   0.052  -1.472  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.108  -2.237  -1.992  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.130  -3.269  -2.878  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.937  -4.046  -2.999  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.588  -2.417  -0.700  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.080  -3.626  -0.319  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.556  -3.739   1.024  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.564  -1.362   0.200  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.074  -0.130  -0.189  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.049   1.013   0.792  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.950   2.117   0.300  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.768   2.969  -1.228  1.00  0.00           S  
HETATM   16  C   UNL     1      -5.185   3.953  -0.882  1.00  0.00           C  
HETATM   17 CL   UNL     1      -5.825   5.186  -1.923  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -5.692   3.606   0.303  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.010   2.593   0.955  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.641   1.535   0.921  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.754   1.060   0.243  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.367   2.528   1.790  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.411   3.052   2.681  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.902   2.994   4.125  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.565   3.732   4.220  1.00  0.00           C  
HETATM   26  C   UNL     1       0.464   3.048   3.317  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.017   3.103   1.868  1.00  0.00           C  
HETATM   28  C   UNL     1       0.922   2.313   0.993  1.00  0.00           C  
HETATM   29  O   UNL     1       1.305   2.776  -0.055  1.00  0.00           O  
HETATM   30  O   UNL     1       1.332   1.094   1.379  1.00  0.00           O  
HETATM   31  C   UNL     1       2.249   0.397   0.494  1.00  0.00           C  
HETATM   32  C   UNL     1       3.654   0.880   0.745  1.00  0.00           C  
HETATM   33  C   UNL     1       4.514   1.085  -0.317  1.00  0.00           C  
HETATM   34  C   UNL     1       4.081   1.123   2.038  1.00  0.00           C  
HETATM   35  C   UNL     1       5.369   1.567   2.271  1.00  0.00           C  
HETATM   36  C   UNL     1       6.234   1.769   1.213  1.00  0.00           C  
HETATM   37  C   UNL     1       5.807   1.530  -0.085  1.00  0.00           C  
HETATM   38  O   UNL     1       6.654   1.732  -1.128  1.00  0.00           O  
HETATM   39  C   UNL     1       7.971   2.191  -0.815  1.00  0.00           C  
HETATM   40  C   UNL     1       8.761   2.357  -2.088  1.00  0.00           C  
HETATM   41  O   UNL     1       8.249   2.108  -3.154  1.00  0.00           O  
HETATM   42  O   UNL     1      10.033   2.781  -2.037  1.00  0.00           O  
HETATM   43  C   UNL     1       2.171  -1.107   0.762  1.00  0.00           C  
HETATM   44  C   UNL     1       0.786  -1.624   0.369  1.00  0.00           C  
HETATM   45  C   UNL     1       0.684  -3.091   0.700  1.00  0.00           C  
HETATM   46  C   UNL     1       1.148  -4.034  -0.198  1.00  0.00           C  
HETATM   47  C   UNL     1       0.133  -3.490   1.903  1.00  0.00           C  
HETATM   48  C   UNL     1       0.038  -4.834   2.211  1.00  0.00           C  
HETATM   49  C   UNL     1       0.496  -5.785   1.314  1.00  0.00           C  
HETATM   50  O   UNL     1       0.403  -7.108   1.615  1.00  0.00           O  
HETATM   51  C   UNL     1      -0.178  -7.446   2.876  1.00  0.00           C  
HETATM   52  C   UNL     1       1.061  -5.383   0.107  1.00  0.00           C  
HETATM   53  O   UNL     1       1.512  -6.313  -0.777  1.00  0.00           O  
HETATM   54  C   UNL     1       2.080  -5.827  -1.995  1.00  0.00           C  
HETATM   55  H   UNL     1      -0.802   0.724  -3.304  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.291   0.488  -4.999  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.427   1.218  -3.838  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.200   1.014  -1.769  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.056  -4.773  -3.802  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.097  -3.389  -3.225  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.747  -4.568  -2.061  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.743  -3.522   1.717  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.368  -3.029   1.183  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.920  -4.752   1.197  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.936  -1.502   1.204  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.398   0.665   1.764  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.568   4.080   0.721  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.316   2.213   1.918  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.635   4.085   2.414  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.312   2.446   2.585  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.627   3.468   4.786  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.765   1.954   4.421  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.697   4.766   3.901  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.212   3.714   5.251  1.00  0.00           H  
HETATM   75  H   UNL     1       1.423   3.559   3.401  1.00  0.00           H  
HETATM   76  H   UNL     1       0.576   2.008   3.624  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.048   4.139   1.532  1.00  0.00           H  
HETATM   78  H   UNL     1       1.976   0.596  -0.542  1.00  0.00           H  
HETATM   79  H   UNL     1       4.179   0.899  -1.327  1.00  0.00           H  
HETATM   80  H   UNL     1       3.406   0.965   2.866  1.00  0.00           H  
HETATM   81  H   UNL     1       5.700   1.756   3.282  1.00  0.00           H  
HETATM   82  H   UNL     1       7.240   2.116   1.396  1.00  0.00           H  
HETATM   83  H   UNL     1       7.909   3.149  -0.299  1.00  0.00           H  
HETATM   84  H   UNL     1       8.466   1.463  -0.172  1.00  0.00           H  
HETATM   85  H   UNL     1      10.499   2.872  -2.879  1.00  0.00           H  
HETATM   86  H   UNL     1       2.931  -1.621   0.174  1.00  0.00           H  
HETATM   87  H   UNL     1       2.342  -1.297   1.822  1.00  0.00           H  
HETATM   88  H   UNL     1       0.023  -1.074   0.919  1.00  0.00           H  
HETATM   89  H   UNL     1       0.635  -1.482  -0.701  1.00  0.00           H  
HETATM   90  H   UNL     1       1.579  -3.720  -1.137  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.225  -2.750   2.604  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.393  -5.143   3.152  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.192  -8.530   2.991  1.00  0.00           H  
HETATM   94  H   UNL     1       0.412  -7.004   3.679  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.198  -7.063   2.921  1.00  0.00           H  
HETATM   96  H   UNL     1       2.940  -5.197  -1.769  1.00  0.00           H  
HETATM   97  H   UNL     1       2.399  -6.670  -2.609  1.00  0.00           H  
HETATM   98  H   UNL     1       1.335  -5.244  -2.537  1.00  0.00           H  
CONECT    1    2   55   56   57                                       
CONECT    2    3    1                                                 
CONECT    3    4    4    5    2                                       
CONECT    4   12    3    3   58                                       
CONECT    5    8    8    3    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   59   60   61                                       
CONECT    8   11    9    5    5                                       
CONECT    9   10    8                                                 
CONECT   10    9   62   63   64                                       
CONECT   11   12   12    8   65                                       
CONECT   12   13   11   11    4                                       
CONECT   13   14   20   12   66                                       
CONECT   14   15   19   19   13                                       
CONECT   15   16   14                                                 
CONECT   16   17   15   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   67                                       
CONECT   19   18   14   14   68                                       
CONECT   20   21   21   13   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   27   23                                            
CONECT   23   22   24   69   70                                       
CONECT   24   25   23   71   72                                       
CONECT   25   26   24   73   74                                       
CONECT   26   27   25   75   76                                       
CONECT   27   26   22   28   77                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   43   32   78                                       
CONECT   32   31   34   34   33                                       
CONECT   33   32   37   37   79                                       
CONECT   34   32   32   35   80                                       
CONECT   35   34   36   36   81                                       
CONECT   36   35   35   37   82                                       
CONECT   37   33   33   36   38                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   83   84                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   85                                                 
CONECT   43   31   44   86   87                                       
CONECT   44   43   45   88   89                                       
CONECT   45   46   46   47   44                                       
CONECT   46   52   45   45   90                                       
CONECT   47   48   48   45   91                                       
CONECT   48   49   47   47   92                                       
CONECT   49   50   52   52   48                                       
CONECT   50   51   49                                                 
CONECT   51   50   93   94   95                                       
CONECT   52   53   49   49   46                                       
CONECT   53   54   52                                                 
CONECT   54   53   96   97   98                                       
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    4                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   51                                                      
CONECT   94   51                                                      
CONECT   95   51                                                      
CONECT   96   54                                                      
CONECT   97   54                                                      
CONECT   98   54                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
