COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.839  -0.006   6.231  1.00  0.00           O  
HETATM    2  C   UNL     1       0.060  -0.675   7.116  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.732  -1.358   8.232  1.00  0.00           C  
HETATM    4  O   UNL     1       0.159  -2.052   9.103  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.718  -2.353   7.617  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.542  -2.905   8.646  1.00  0.00           O  
HETATM    7  S   UNL     1      -3.496  -3.880   7.971  1.00  0.00           S  
HETATM    8  O   UNL     1      -4.607  -4.004   8.848  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.563  -3.475   6.611  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.820  -5.244   7.963  1.00  0.00           O  
HETATM   11  C   UNL     1       1.022   0.343   7.738  1.00  0.00           C  
HETATM   12  O   UNL     1       1.872   0.881   6.724  1.00  0.00           O  
HETATM   13  S   UNL     1       1.904   2.389   6.931  1.00  0.00           S  
HETATM   14  O   UNL     1       2.738   2.903   5.902  1.00  0.00           O  
HETATM   15  O   UNL     1       2.643   2.654   8.235  1.00  0.00           O  
HETATM   16  O   UNL     1       0.556   2.774   7.166  1.00  0.00           O  
HETATM   17  C   UNL     1       1.868  -0.368   8.799  1.00  0.00           C  
HETATM   18  O   UNL     1       2.668   0.590   9.494  1.00  0.00           O  
HETATM   19  S   UNL     1       4.087   0.039   9.526  1.00  0.00           S  
HETATM   20  O   UNL     1       4.637   0.118   8.109  1.00  0.00           O  
HETATM   21  O   UNL     1       4.845   0.969  10.287  1.00  0.00           O  
HETATM   22  O   UNL     1       3.956  -1.346   9.813  1.00  0.00           O  
HETATM   23  C   UNL     1       0.939  -1.074   9.789  1.00  0.00           C  
HETATM   24  O   UNL     1       0.072  -0.114  10.395  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.763  -0.829  11.306  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.922   1.242   2.059  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.119   1.711   3.395  1.00  0.00           C  
HETATM   28  C   UNL     1       0.121   1.398   4.235  1.00  0.00           C  
HETATM   29  O   UNL     1       0.363  -0.006   4.235  1.00  0.00           O  
HETATM   30  C   UNL     1       1.312   2.113   3.652  1.00  0.00           C  
HETATM   31  O   UNL     1       2.253   1.479   3.237  1.00  0.00           O  
HETATM   32  O   UNL     1       1.328   3.454   3.594  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.332   1.007   4.014  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.615   1.576   5.294  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.024   1.452   5.498  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.007  -0.481   4.169  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.863  -1.076   2.878  1.00  0.00           O  
HETATM   38  S   UNL     1      -2.660  -2.373   2.901  1.00  0.00           S  
HETATM   39  O   UNL     1      -4.134  -1.999   2.966  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.468  -2.966   1.624  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.362  -2.987   4.147  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.700  -0.628   4.952  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.455   2.356   1.295  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.399   2.595   0.115  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.708   2.895   0.603  1.00  0.00           O  
HETATM   46  S   UNL     1      -2.950   4.373   0.332  1.00  0.00           S  
HETATM   47  C   UNL     1      -1.452   1.330  -0.747  1.00  0.00           C  
HETATM   48  O   UNL     1      -2.210   1.585  -1.931  1.00  0.00           O  
HETATM   49  S   UNL     1      -3.356   0.584  -1.944  1.00  0.00           S  
HETATM   50  C   UNL     1      -0.020   0.937  -1.128  1.00  0.00           C  
HETATM   51  O   UNL     1      -0.032  -0.319  -1.807  1.00  0.00           O  
HETATM   52  C   UNL     1       0.820   0.823   0.145  1.00  0.00           C  
HETATM   53  O   UNL     1       0.859   2.082   0.813  1.00  0.00           O  
HETATM   54  C   UNL     1       2.243   0.398  -0.223  1.00  0.00           C  
HETATM   55  O   UNL     1       3.001   0.187   0.969  1.00  0.00           O  
HETATM   56  S   UNL     1       4.398  -0.230   0.534  1.00  0.00           S  
HETATM   57  O   UNL     1      -3.115   4.539  -1.171  1.00  0.00           O  
HETATM   58  O   UNL     1      -4.222   4.666   0.895  1.00  0.00           O  
HETATM   59  O   UNL     1      -1.734   5.030   0.662  1.00  0.00           O  
HETATM   60  O   UNL     1      -4.074   0.833  -3.145  1.00  0.00           O  
HETATM   61  O   UNL     1      -2.784  -0.662  -1.572  1.00  0.00           O  
HETATM   62  O   UNL     1      -4.301   0.959  -0.811  1.00  0.00           O  
HETATM   63  O   UNL     1       5.228   1.037   0.390  1.00  0.00           O  
HETATM   64  O   UNL     1       4.953  -0.931   1.639  1.00  0.00           O  
HETATM   65  O   UNL     1       4.254  -0.749  -0.780  1.00  0.00           O  
HETATM   66  C   UNL     1       0.586  -0.107  -3.078  1.00  0.00           C  
HETATM   67  C   UNL     1       0.968  -1.457  -3.689  1.00  0.00           C  
HETATM   68  O   UNL     1       1.857  -2.146  -2.807  1.00  0.00           O  
HETATM   69  C   UNL     1       1.045  -2.938  -1.938  1.00  0.00           C  
HETATM   70  C   UNL     1       1.663  -1.218  -5.034  1.00  0.00           C  
HETATM   71  O   UNL     1       1.894  -2.468  -5.687  1.00  0.00           O  
HETATM   72  C   UNL     1       3.188  -2.915  -5.278  1.00  0.00           C  
HETATM   73  O   UNL     1      -0.323   0.571  -3.941  1.00  0.00           O  
HETATM   74  C   UNL     1       0.387   0.922  -5.127  1.00  0.00           C  
HETATM   75  C   UNL     1      -0.479   1.803  -5.989  1.00  0.00           C  
HETATM   76  O   UNL     1       0.067   2.512  -6.989  1.00  0.00           O  
HETATM   77  O   UNL     1      -1.667   1.873  -5.779  1.00  0.00           O  
HETATM   78  C   UNL     1       0.754  -0.343  -5.905  1.00  0.00           C  
HETATM   79  O   UNL     1       1.441   0.015  -7.105  1.00  0.00           O  
HETATM   80  O   UNL     1      -0.345   1.598 -10.639  1.00  0.00           O  
HETATM   81  C   UNL     1      -0.804   1.370 -11.973  1.00  0.00           C  
HETATM   82  C   UNL     1       0.156   0.351 -10.156  1.00  0.00           C  
HETATM   83  C   UNL     1      -0.530   0.000  -8.834  1.00  0.00           C  
HETATM   84  O   UNL     1      -0.053  -1.257  -8.361  1.00  0.00           O  
HETATM   85  C   UNL     1      -2.042  -0.078  -9.053  1.00  0.00           C  
HETATM   86  O   UNL     1      -2.319  -0.948 -10.153  1.00  0.00           O  
HETATM   87  S   UNL     1      -3.832  -0.994 -10.307  1.00  0.00           S  
HETATM   88  O   UNL     1      -4.226   0.122 -11.263  1.00  0.00           O  
HETATM   89  O   UNL     1      -4.114  -2.206 -10.993  1.00  0.00           O  
HETATM   90  O   UNL     1      -4.361  -0.623  -9.041  1.00  0.00           O  
HETATM   91  C   UNL     1       1.667   0.461  -9.920  1.00  0.00           C  
HETATM   92  O   UNL     1       2.336   0.641 -11.170  1.00  0.00           O  
HETATM   93  C   UNL     1       3.511   1.408 -10.902  1.00  0.00           C  
HETATM   94  C   UNL     1       2.153  -0.829  -9.254  1.00  0.00           C  
HETATM   95  O   UNL     1       3.528  -0.692  -8.891  1.00  0.00           O  
HETATM   96  S   UNL     1       4.181  -2.047  -9.120  1.00  0.00           S  
HETATM   97  O   UNL     1       5.529  -1.904  -8.692  1.00  0.00           O  
HETATM   98  O   UNL     1       4.247  -2.273 -10.624  1.00  0.00           O  
HETATM   99  O   UNL     1       3.259  -3.009  -8.625  1.00  0.00           O  
HETATM  100  C   UNL     1       1.316  -1.091  -8.000  1.00  0.00           C  
HETATM  101  H   UNL     1       0.629  -1.422   6.562  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.281  -0.607   8.799  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.344  -1.840   6.887  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.167  -3.154   7.125  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.433  -5.857   7.533  1.00  0.00           H  
HETATM  106  H   UNL     1       0.453   1.147   8.204  1.00  0.00           H  
HETATM  107  H   UNL     1       2.657   3.613   8.358  1.00  0.00           H  
HETATM  108  H   UNL     1       2.515  -1.102   8.318  1.00  0.00           H  
HETATM  109  H   UNL     1       5.537  -0.232   8.139  1.00  0.00           H  
HETATM  110  H   UNL     1       1.535  -1.562  10.560  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.445  -0.134  11.796  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.337  -1.579  10.761  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.145  -1.321  12.057  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.289   2.787   3.382  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.040   1.738   5.259  1.00  0.00           H  
HETATM  116  H   UNL     1       2.093   3.913   3.219  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.196   1.127   3.361  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.289   1.875   6.467  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.554   1.987   4.711  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.303   0.399   5.473  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.813  -0.975   4.711  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.632  -2.828   2.980  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.476  -1.687   5.087  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.432   3.244   1.926  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.032   3.429  -0.482  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.916   0.521  -0.183  1.00  0.00           H  
HETATM  127  H   UNL     1       0.405   1.700  -1.779  1.00  0.00           H  
HETATM  128  H   UNL     1       0.378   0.076   0.805  1.00  0.00           H  
HETATM  129  H   UNL     1       2.208  -0.525  -0.800  1.00  0.00           H  
HETATM  130  H   UNL     1       2.713   1.181  -0.818  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.267   5.480  -1.333  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.025   0.318  -0.827  1.00  0.00           H  
HETATM  133  H   UNL     1       6.113   0.762   0.114  1.00  0.00           H  
HETATM  134  H   UNL     1       1.483   0.498  -2.948  1.00  0.00           H  
HETATM  135  H   UNL     1       0.071  -2.057  -3.843  1.00  0.00           H  
HETATM  136  H   UNL     1       1.683  -3.485  -1.243  1.00  0.00           H  
HETATM  137  H   UNL     1       0.372  -2.289  -1.378  1.00  0.00           H  
HETATM  138  H   UNL     1       0.462  -3.644  -2.528  1.00  0.00           H  
HETATM  139  H   UNL     1       2.613  -0.710  -4.871  1.00  0.00           H  
HETATM  140  H   UNL     1       3.409  -3.871  -5.753  1.00  0.00           H  
HETATM  141  H   UNL     1       3.937  -2.180  -5.573  1.00  0.00           H  
HETATM  142  H   UNL     1       3.205  -3.035  -4.194  1.00  0.00           H  
HETATM  143  H   UNL     1       1.296   1.459  -4.859  1.00  0.00           H  
HETATM  144  H   UNL     1      -0.496   3.022  -7.586  1.00  0.00           H  
HETATM  145  H   UNL     1      -0.151  -0.894  -6.154  1.00  0.00           H  
HETATM  146  H   UNL     1      -1.275   2.275 -12.355  1.00  0.00           H  
HETATM  147  H   UNL     1       0.040   1.104 -12.608  1.00  0.00           H  
HETATM  148  H   UNL     1      -1.529   0.555 -11.973  1.00  0.00           H  
HETATM  149  H   UNL     1      -0.041  -0.430 -10.889  1.00  0.00           H  
HETATM  150  H   UNL     1      -0.311   0.772  -8.096  1.00  0.00           H  
HETATM  151  H   UNL     1      -2.520  -0.466  -8.154  1.00  0.00           H  
HETATM  152  H   UNL     1      -2.430   0.916  -9.271  1.00  0.00           H  
HETATM  153  H   UNL     1      -5.188   0.085 -11.355  1.00  0.00           H  
HETATM  154  H   UNL     1       1.875   1.309  -9.268  1.00  0.00           H  
HETATM  155  H   UNL     1       4.057   1.572 -11.831  1.00  0.00           H  
HETATM  156  H   UNL     1       4.145   0.868 -10.199  1.00  0.00           H  
HETATM  157  H   UNL     1       3.228   2.369 -10.473  1.00  0.00           H  
HETATM  158  H   UNL     1       2.041  -1.662  -9.948  1.00  0.00           H  
HETATM  159  H   UNL     1       4.663  -3.135 -10.759  1.00  0.00           H  
HETATM  160  H   UNL     1       1.674  -1.996  -7.508  1.00  0.00           H  
CONECT    1   42    2                                                 
CONECT    2    1    3   11  101                                       
CONECT    3    2    4    5  102                                       
CONECT    4    3   23                                                 
CONECT    5    3    6  103  104                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7  105                                                 
CONECT   11    2   12   17  106                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   15                                       
CONECT   13   16   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13  107                                                 
CONECT   16   13   13                                                 
CONECT   17   11   18   23  108                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22   22                                                 
CONECT   20   19  109                                                 
CONECT   21   19   19                                                 
CONECT   22   19   19                                                 
CONECT   23    4   17   24  110                                       
CONECT   24   23   25                                                 
CONECT   25   24  111  112  113                                       
CONECT   26   43   27                                                 
CONECT   27   26   28   33  114                                       
CONECT   28   27   29   30  115                                       
CONECT   29   28   42                                                 
CONECT   30   28   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30  116                                                 
CONECT   33   27   34   36  117                                       
CONECT   34   33   35                                                 
CONECT   35   34  118  119  120                                       
CONECT   36   33   37   42  121                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   40   40                                       
CONECT   38   41   41                                                 
CONECT   39   38  122                                                 
CONECT   40   38   38                                                 
CONECT   41   38   38                                                 
CONECT   42   29   36    1  123                                       
CONECT   43   53   44   26  124                                       
CONECT   44   47   45   43  125                                       
CONECT   45   44   46                                                 
CONECT   46   45   57   58   58                                       
CONECT   46   59   59                                                 
CONECT   47   50   48   44  126                                       
CONECT   48   47   49                                                 
CONECT   49   48   60   60   62                                       
CONECT   49   61   61                                                 
CONECT   50   51   52   47  127                                       
CONECT   51   66   50                                                 
CONECT   52   50   53   54  128                                       
CONECT   53   52   43                                                 
CONECT   54   52   55  129  130                                       
CONECT   55   54   56                                                 
CONECT   56   55   64   64   63                                       
CONECT   56   65   65                                                 
CONECT   57   46  131                                                 
CONECT   58   46   46                                                 
CONECT   59   46   46                                                 
CONECT   60   49   49                                                 
CONECT   61   49   49                                                 
CONECT   62   49  132                                                 
CONECT   63   56  133                                                 
CONECT   64   56   56                                                 
CONECT   65   56   56                                                 
CONECT   66   73   67   51  134                                       
CONECT   67   70   68   66  135                                       
CONECT   68   67   69                                                 
CONECT   69   68  136  137  138                                       
CONECT   70   78   71   67  139                                       
CONECT   71   70   72                                                 
CONECT   72   71  140  141  142                                       
CONECT   73   74   66                                                 
CONECT   74   78   73   75  143                                       
CONECT   75   74   77   77   76                                       
CONECT   76   75  144                                                 
CONECT   77   75   75                                                 
CONECT   78   79   74   70  145                                       
CONECT   79  100   78                                                 
CONECT   80   81   82                                                 
CONECT   81   80  146  147  148                                       
CONECT   82   80   83   91  149                                       
CONECT   83   82   84   85  150                                       
CONECT   84   83  100                                                 
CONECT   85   83   86  151  152                                       
CONECT   86   85   87                                                 
CONECT   87   86   88   89   89                                       
CONECT   87   90   90                                                 
CONECT   88   87  153                                                 
CONECT   89   87   87                                                 
CONECT   90   87   87                                                 
CONECT   91   82   92   94  154                                       
CONECT   92   91   93                                                 
CONECT   93   92  155  157  156                                       
CONECT   94   91   95  100  158                                       
CONECT   95   94   96                                                 
CONECT   96   95   97   97   98                                       
CONECT   96   99   99                                                 
CONECT   97   96   96                                                 
CONECT   98   96  159                                                 
CONECT   99   96   96                                                 
CONECT  100   84   94   79  160                                       
CONECT  101    2                                                      
CONECT  102    3                                                      
CONECT  103    5                                                      
CONECT  104    5                                                      
CONECT  105   10                                                      
CONECT  106   11                                                      
CONECT  107   15                                                      
CONECT  108   17                                                      
CONECT  109   20                                                      
CONECT  110   23                                                      
CONECT  111   25                                                      
CONECT  112   25                                                      
CONECT  113   25                                                      
CONECT  114   27                                                      
CONECT  115   28                                                      
CONECT  116   32                                                      
CONECT  117   33                                                      
CONECT  118   35                                                      
CONECT  119   35                                                      
CONECT  120   35                                                      
CONECT  121   36                                                      
CONECT  122   39                                                      
CONECT  123   42                                                      
CONECT  124   43                                                      
CONECT  125   44                                                      
CONECT  126   47                                                      
CONECT  127   50                                                      
CONECT  128   52                                                      
CONECT  129   54                                                      
CONECT  130   54                                                      
CONECT  131   57                                                      
CONECT  132   62                                                      
CONECT  133   63                                                      
CONECT  134   66                                                      
CONECT  135   67                                                      
CONECT  136   69                                                      
CONECT  137   69                                                      
CONECT  138   69                                                      
CONECT  139   70                                                      
CONECT  140   72                                                      
CONECT  141   72                                                      
CONECT  142   72                                                      
CONECT  143   74                                                      
CONECT  144   76                                                      
CONECT  145   78                                                      
CONECT  146   81                                                      
CONECT  147   81                                                      
CONECT  148   81                                                      
CONECT  149   82                                                      
CONECT  150   83                                                      
CONECT  151   85                                                      
CONECT  152   85                                                      
CONECT  153   88                                                      
CONECT  154   91                                                      
CONECT  155   93                                                      
CONECT  156   93                                                      
CONECT  157   93                                                      
CONECT  158   94                                                      
CONECT  159   98                                                      
CONECT  160  100                                                      
MASTER        0    0    0    0    0    0    0    0  160    0  160    0
END
