COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.554  -2.535   2.023  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.556  -3.079   0.939  1.00  0.00           C  
HETATM    3  N   UNL     1       0.553  -3.059   0.174  1.00  0.00           N  
HETATM    4  C   UNL     1       1.761  -2.381   0.650  1.00  0.00           C  
HETATM    5  C   UNL     1       2.865  -2.506  -0.401  1.00  0.00           C  
HETATM    6  S   UNL     1       4.360  -1.665   0.190  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.796  -3.782   0.451  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.899  -3.662   1.505  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.104  -4.346   1.031  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.211  -4.370   1.799  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.185  -3.899   2.916  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.482  -4.984   1.270  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.209  -5.662   0.043  1.00  0.00           O  
HETATM   14  C   UNL     1      -7.516  -3.883   1.025  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.928  -3.264   2.362  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.909  -2.803   0.128  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.746  -4.482   0.341  1.00  0.00           C  
HETATM   18  O   UNL     1      -9.712  -3.454   0.112  1.00  0.00           O  
HETATM   19  P   UNL     1     -11.134  -3.728  -0.593  1.00  0.00           P  
HETATM   20  O   UNL     1     -11.849  -4.797   0.138  1.00  0.00           O  
HETATM   21  O   UNL     1     -10.897  -4.186  -2.118  1.00  0.00           O  
HETATM   22  O   UNL     1     -12.013  -2.380  -0.568  1.00  0.00           O  
HETATM   23  P   UNL     1     -13.586  -2.068  -0.713  1.00  0.00           P  
HETATM   24  O   UNL     1     -14.024  -2.217  -2.255  1.00  0.00           O  
HETATM   25  O   UNL     1     -14.357  -3.024   0.113  1.00  0.00           O  
HETATM   26  O   UNL     1     -13.884  -0.566  -0.214  1.00  0.00           O  
HETATM   27  C   UNL     1     -15.202  -0.024  -0.120  1.00  0.00           C  
HETATM   28  C   UNL     1     -15.126   1.418   0.386  1.00  0.00           C  
HETATM   29  C   UNL     1     -16.545   1.984   0.614  1.00  0.00           C  
HETATM   30  O   UNL     1     -16.901   1.901   1.996  1.00  0.00           O  
HETATM   31  P   UNL     1     -18.171   1.066   2.526  1.00  0.00           P  
HETATM   32  O   UNL     1     -18.075  -0.333   2.051  1.00  0.00           O  
HETATM   33  O   UNL     1     -18.192   1.085   4.136  1.00  0.00           O  
HETATM   34  O   UNL     1     -19.524   1.732   1.964  1.00  0.00           O  
HETATM   35  C   UNL     1     -16.437   3.460   0.170  1.00  0.00           C  
HETATM   36  O   UNL     1     -16.723   4.334   1.264  1.00  0.00           O  
HETATM   37  O   UNL     1     -14.546   2.274  -0.623  1.00  0.00           O  
HETATM   38  C   UNL     1     -14.966   3.611  -0.274  1.00  0.00           C  
HETATM   39  N   UNL     1     -14.873   4.495  -1.439  1.00  0.00           N  
HETATM   40  C   UNL     1     -14.739   5.860  -1.414  1.00  0.00           C  
HETATM   41  N   UNL     1     -14.654   6.777  -0.456  1.00  0.00           N  
HETATM   42  C   UNL     1     -14.527   8.052  -0.757  1.00  0.00           C  
HETATM   43  C   UNL     1     -14.898   4.111  -2.747  1.00  0.00           C  
HETATM   44  N   UNL     1     -14.793   5.154  -3.518  1.00  0.00           N  
HETATM   45  C   UNL     1     -14.691   6.269  -2.757  1.00  0.00           C  
HETATM   46  C   UNL     1     -14.555   7.642  -3.028  1.00  0.00           C  
HETATM   47  N   UNL     1     -14.477   8.485  -2.004  1.00  0.00           N  
HETATM   48  N   UNL     1     -14.502   8.104  -4.331  1.00  0.00           N  
HETATM   49  O   UNL     1      15.840   6.841   4.557  1.00  0.00           O  
HETATM   50  C   UNL     1      16.001   6.765   3.351  1.00  0.00           C  
HETATM   51  C   UNL     1      15.965   5.514   2.692  1.00  0.00           C  
HETATM   52  N   UNL     1      15.777   4.236   3.103  1.00  0.00           N  
HETATM   53  C   UNL     1      15.840   3.440   2.076  1.00  0.00           C  
HETATM   54  N   UNL     1      16.212   7.875   2.609  1.00  0.00           N  
HETATM   55  C   UNL     1      16.389   7.779   1.261  1.00  0.00           C  
HETATM   56  N   UNL     1      16.602   8.922   0.534  1.00  0.00           N  
HETATM   57  N   UNL     1      16.364   6.622   0.638  1.00  0.00           N  
HETATM   58  C   UNL     1      16.155   5.481   1.306  1.00  0.00           C  
HETATM   59  N   UNL     1      16.071   4.164   0.943  1.00  0.00           N  
HETATM   60  C   UNL     1      16.206   3.630  -0.414  1.00  0.00           C  
HETATM   61  O   UNL     1      15.635   2.307  -0.499  1.00  0.00           O  
HETATM   62  C   UNL     1      17.699   3.402  -0.766  1.00  0.00           C  
HETATM   63  O   UNL     1      18.289   4.596  -1.283  1.00  0.00           O  
HETATM   64  C   UNL     1      17.612   2.310  -1.859  1.00  0.00           C  
HETATM   65  O   UNL     1      17.689   2.897  -3.160  1.00  0.00           O  
HETATM   66  C   UNL     1      16.230   1.665  -1.639  1.00  0.00           C  
HETATM   67  C   UNL     1      16.392   0.168  -1.368  1.00  0.00           C  
HETATM   68  O   UNL     1      15.103  -0.440  -1.265  1.00  0.00           O  
HETATM   69  P   UNL     1      14.894  -2.011  -0.982  1.00  0.00           P  
HETATM   70  O   UNL     1      15.467  -2.861  -2.223  1.00  0.00           O  
HETATM   71  O   UNL     1      15.618  -2.391   0.252  1.00  0.00           O  
HETATM   72  O   UNL     1      13.324  -2.320  -0.799  1.00  0.00           O  
HETATM   73  P   UNL     1      12.492  -3.521  -0.124  1.00  0.00           P  
HETATM   74  O   UNL     1      13.146  -4.811  -0.436  1.00  0.00           O  
HETATM   75  O   UNL     1      12.448  -3.313   1.472  1.00  0.00           O  
HETATM   76  O   UNL     1      10.990  -3.526  -0.705  1.00  0.00           O  
HETATM   77  C   UNL     1      10.033  -4.536  -0.380  1.00  0.00           C  
HETATM   78  O   UNL     1       9.302  -4.143   0.783  1.00  0.00           O  
HETATM   79  C   UNL     1       8.606  -2.903   0.642  1.00  0.00           C  
HETATM   80  C   UNL     1       7.886  -2.571   1.951  1.00  0.00           C  
HETATM   81  C   UNL     1       9.066  -4.720  -1.552  1.00  0.00           C  
HETATM   82  O   UNL     1       8.141  -5.766  -1.249  1.00  0.00           O  
HETATM   83  C   UNL     1       8.301  -3.412  -1.782  1.00  0.00           C  
HETATM   84  O   UNL     1       7.345  -3.595  -2.828  1.00  0.00           O  
HETATM   85  C   UNL     1       7.580  -3.021  -0.488  1.00  0.00           C  
HETATM   86  N   UNL     1       6.905  -1.730  -0.675  1.00  0.00           N  
HETATM   87  C   UNL     1       5.535  -1.919  -1.170  1.00  0.00           C  
HETATM   88  C   UNL     1       5.251  -0.910  -2.284  1.00  0.00           C  
HETATM   89  H   UNL     1       0.552  -3.494  -0.693  1.00  0.00           H  
HETATM   90  H   UNL     1       1.541  -1.327   0.823  1.00  0.00           H  
HETATM   91  H   UNL     1       2.092  -2.840   1.582  1.00  0.00           H  
HETATM   92  H   UNL     1       3.085  -3.559  -0.574  1.00  0.00           H  
HETATM   93  H   UNL     1       2.534  -2.046  -1.332  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.131  -3.324  -0.479  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.572  -4.835   0.278  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.563  -4.120   2.436  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.122  -2.609   1.679  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.106  -4.781   0.164  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.873  -5.694   1.998  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.857  -5.090  -0.653  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.068  -2.770   2.814  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.720  -2.533   2.196  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.290  -4.046   3.029  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.616  -3.244  -0.824  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.646  -2.019  -0.046  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.033  -2.376   0.616  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.453  -4.924  -0.612  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.179  -5.252   0.980  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.432  -3.533  -2.658  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.558  -1.619  -2.856  1.00  0.00           H  
HETATM  111  H   UNL     1     -15.672  -0.040  -1.103  1.00  0.00           H  
HETATM  112  H   UNL     1     -15.792  -0.622   0.575  1.00  0.00           H  
HETATM  113  H   UNL     1     -14.545   1.467   1.307  1.00  0.00           H  
HETATM  114  H   UNL     1     -17.272   1.452  -0.001  1.00  0.00           H  
HETATM  115  H   UNL     1     -18.932   0.600   4.525  1.00  0.00           H  
HETATM  116  H   UNL     1     -19.653   2.651   2.236  1.00  0.00           H  
HETATM  117  H   UNL     1     -17.112   3.658  -0.663  1.00  0.00           H  
HETATM  118  H   UNL     1     -16.669   5.273   1.041  1.00  0.00           H  
HETATM  119  H   UNL     1     -14.358   3.999   0.544  1.00  0.00           H  
HETATM  120  H   UNL     1     -14.460   8.772   0.046  1.00  0.00           H  
HETATM  121  H   UNL     1     -14.991   3.092  -3.092  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.559   7.479  -5.070  1.00  0.00           H  
HETATM  123  H   UNL     1     -14.408   9.054  -4.505  1.00  0.00           H  
HETATM  124  H   UNL     1      15.725   2.367   2.115  1.00  0.00           H  
HETATM  125  H   UNL     1      16.236   8.745   3.038  1.00  0.00           H  
HETATM  126  H   UNL     1      16.624   9.784   0.980  1.00  0.00           H  
HETATM  127  H   UNL     1      16.730   8.870  -0.426  1.00  0.00           H  
HETATM  128  H   UNL     1      15.740   4.299  -1.137  1.00  0.00           H  
HETATM  129  H   UNL     1      18.252   3.041   0.102  1.00  0.00           H  
HETATM  130  H   UNL     1      19.222   4.504  -1.518  1.00  0.00           H  
HETATM  131  H   UNL     1      18.404   1.574  -1.727  1.00  0.00           H  
HETATM  132  H   UNL     1      18.516   3.368  -3.331  1.00  0.00           H  
HETATM  133  H   UNL     1      15.605   1.818  -2.519  1.00  0.00           H  
HETATM  134  H   UNL     1      16.946  -0.292  -2.187  1.00  0.00           H  
HETATM  135  H   UNL     1      16.937   0.024  -0.435  1.00  0.00           H  
HETATM  136  H   UNL     1      15.038  -2.663  -3.067  1.00  0.00           H  
HETATM  137  H   UNL     1      12.032  -2.486   1.750  1.00  0.00           H  
HETATM  138  H   UNL     1      10.549  -5.477  -0.184  1.00  0.00           H  
HETATM  139  H   UNL     1       9.317  -2.111   0.407  1.00  0.00           H  
HETATM  140  H   UNL     1       8.620  -2.439   2.746  1.00  0.00           H  
HETATM  141  H   UNL     1       7.314  -1.651   1.828  1.00  0.00           H  
HETATM  142  H   UNL     1       7.211  -3.386   2.211  1.00  0.00           H  
HETATM  143  H   UNL     1       9.626  -4.977  -2.451  1.00  0.00           H  
HETATM  144  H   UNL     1       8.557  -6.624  -1.086  1.00  0.00           H  
HETATM  145  H   UNL     1       9.002  -2.625  -2.062  1.00  0.00           H  
HETATM  146  H   UNL     1       7.733  -3.851  -3.676  1.00  0.00           H  
HETATM  147  H   UNL     1       6.845  -3.784  -0.235  1.00  0.00           H  
HETATM  148  H   UNL     1       6.910  -1.192   0.179  1.00  0.00           H  
HETATM  149  H   UNL     1       5.426  -2.931  -1.560  1.00  0.00           H  
HETATM  150  H   UNL     1       5.956  -1.062  -3.101  1.00  0.00           H  
HETATM  151  H   UNL     1       4.234  -1.050  -2.651  1.00  0.00           H  
HETATM  152  H   UNL     1       5.359   0.102  -1.894  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    7    1    1    3                                       
CONECT    3    2    4   89                                            
CONECT    4    3    5   90   91                                       
CONECT    5    4    6   92   93                                       
CONECT    6    5   87                                                 
CONECT    7    8    2   94   95                                       
CONECT    8    9    7   96   97                                       
CONECT    9   10    8   98                                            
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   14   10   13   99                                       
CONECT   13   12  100                                                 
CONECT   14   15   16   17   12                                       
CONECT   15   14  101  102  103                                       
CONECT   16   14  104  105  106                                       
CONECT   17   14   18  107  108                                       
CONECT   18   17   19                                                 
CONECT   19   20   20   22   18                                       
CONECT   19   21                                                      
CONECT   20   19   19                                                 
CONECT   21   19  109                                                 
CONECT   22   19   23                                                 
CONECT   23   26   22   25   25                                       
CONECT   23   24                                                      
CONECT   24   23  110                                                 
CONECT   25   23   23                                                 
CONECT   26   27   23                                                 
CONECT   27   28   26  111  112                                       
CONECT   28   37   27   29  113                                       
CONECT   29   30   28   35  114                                       
CONECT   30   31   29                                                 
CONECT   31   32   32   34   30                                       
CONECT   31   33                                                      
CONECT   32   31   31                                                 
CONECT   33   31  115                                                 
CONECT   34   31  116                                                 
CONECT   35   38   29   36  117                                       
CONECT   36   35  118                                                 
CONECT   37   28   38                                                 
CONECT   38   37   39   35  119                                       
CONECT   39   38   40   43                                            
CONECT   40   41   39   45   45                                       
CONECT   41   42   42   40                                            
CONECT   42   41   41   47  120                                       
CONECT   43   39   44   44  121                                       
CONECT   44   45   43   43                                            
CONECT   45   40   40   46   44                                       
CONECT   46   47   47   45   48                                       
CONECT   47   42   46   46                                            
CONECT   48   46  122  123                                            
CONECT   49   50   50                                                 
CONECT   50   49   49   51   54                                       
CONECT   51   52   50   58   58                                       
CONECT   52   51   53   53                                            
CONECT   53   52   52   59  124                                       
CONECT   54   50   55  125                                            
CONECT   55   54   57   57   56                                       
CONECT   56   55  126  127                                            
CONECT   57   58   55   55                                            
CONECT   58   51   51   59   57                                       
CONECT   59   53   58   60                                            
CONECT   60   59   61   62  128                                       
CONECT   61   60   66                                                 
CONECT   62   60   64   63  129                                       
CONECT   63   62  130                                                 
CONECT   64   66   62   65  131                                       
CONECT   65   64  132                                                 
CONECT   66   61   67   64  133                                       
CONECT   67   66   68  134  135                                       
CONECT   68   67   69                                                 
CONECT   69   72   71   71   68                                       
CONECT   69   70                                                      
CONECT   70   69  136                                                 
CONECT   71   69   69                                                 
CONECT   72   73   69                                                 
CONECT   73   74   74   76   72                                       
CONECT   73   75                                                      
CONECT   74   73   73                                                 
CONECT   75   73  137                                                 
CONECT   76   77   73                                                 
CONECT   77   78   81   76  138                                       
CONECT   78   79   77                                                 
CONECT   79   80   78   85  139                                       
CONECT   80   79  140  141  142                                       
CONECT   81   82   77   83  143                                       
CONECT   82   81  144                                                 
CONECT   83   85   81   84  145                                       
CONECT   84   83  146                                                 
CONECT   85   79   86   83  147                                       
CONECT   86   85   87  148                                            
CONECT   87    6   86   88  149                                       
CONECT   88   87  150  151  152                                       
CONECT   89    3                                                      
CONECT   90    4                                                      
CONECT   91    4                                                      
CONECT   92    5                                                      
CONECT   93    5                                                      
CONECT   94    7                                                      
CONECT   95    7                                                      
CONECT   96    8                                                      
CONECT   97    8                                                      
CONECT   98    9                                                      
CONECT   99   12                                                      
CONECT  100   13                                                      
CONECT  101   15                                                      
CONECT  102   15                                                      
CONECT  103   15                                                      
CONECT  104   16                                                      
CONECT  105   16                                                      
CONECT  106   16                                                      
CONECT  107   17                                                      
CONECT  108   17                                                      
CONECT  109   21                                                      
CONECT  110   24                                                      
CONECT  111   27                                                      
CONECT  112   27                                                      
CONECT  113   28                                                      
CONECT  114   29                                                      
CONECT  115   33                                                      
CONECT  116   34                                                      
CONECT  117   35                                                      
CONECT  118   36                                                      
CONECT  119   38                                                      
CONECT  120   42                                                      
CONECT  121   43                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   53                                                      
CONECT  125   54                                                      
CONECT  126   56                                                      
CONECT  127   56                                                      
CONECT  128   60                                                      
CONECT  129   62                                                      
CONECT  130   63                                                      
CONECT  131   64                                                      
CONECT  132   65                                                      
CONECT  133   66                                                      
CONECT  134   67                                                      
CONECT  135   67                                                      
CONECT  136   70                                                      
CONECT  137   75                                                      
CONECT  138   77                                                      
CONECT  139   79                                                      
CONECT  140   80                                                      
CONECT  141   80                                                      
CONECT  142   80                                                      
CONECT  143   81                                                      
CONECT  144   82                                                      
CONECT  145   83                                                      
CONECT  146   84                                                      
CONECT  147   85                                                      
CONECT  148   86                                                      
CONECT  149   87                                                      
CONECT  150   88                                                      
CONECT  151   88                                                      
CONECT  152   88                                                      
MASTER        0    0    0    0    0    0    0    0  152    0  152    0
END
