COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -14.065   4.938  -1.038  1.00  0.00           C  
HETATM    2  C   UNL     1     -14.784   4.942   0.287  1.00  0.00           C  
HETATM    3  N   UNL     1     -15.667   5.948   0.572  1.00  0.00           N  
HETATM    4  C   UNL     1     -16.310   5.850   1.893  1.00  0.00           C  
HETATM    5  S   UNL     1     -15.569   4.320   2.576  1.00  0.00           S  
HETATM    6  C   UNL     1     -14.554   3.963   1.161  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.639   2.815   0.991  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.693   2.043  -0.171  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.836   0.973  -0.324  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.714   2.502   1.988  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.863   1.429   1.822  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.925   0.664   0.671  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.992  -0.506   0.497  1.00  0.00           C  
HETATM   14  N   UNL     1      -9.759  -0.056  -0.154  1.00  0.00           N  
HETATM   15  C   UNL     1      -8.773  -0.937  -0.413  1.00  0.00           C  
HETATM   16  O   UNL     1      -8.906  -2.103  -0.108  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.505  -0.474  -1.083  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.827   0.094  -2.481  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.531  -1.105  -3.420  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.180  -0.656  -4.730  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.319  -1.761  -2.714  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.595  -1.613  -1.273  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.095  -2.391  -0.293  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.452  -2.226   0.854  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.093  -3.467  -0.623  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.809  -4.815  -0.733  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.934  -4.712  -1.764  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.811  -5.888  -1.172  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.398  -5.192   0.628  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.084  -3.535   0.437  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.855  -4.020   0.168  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.585  -4.399  -0.952  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.817  -4.090   1.258  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.607  -4.635   0.728  1.00  0.00           O  
HETATM   35  C   UNL     1       0.449  -4.745   1.686  1.00  0.00           C  
HETATM   36  C   UNL     1       1.688  -5.338   1.012  1.00  0.00           C  
HETATM   37  O   UNL     1       2.171  -4.430   0.020  1.00  0.00           O  
HETATM   38  C   UNL     1       3.333  -4.889  -0.672  1.00  0.00           C  
HETATM   39  C   UNL     1       3.759  -3.843  -1.705  1.00  0.00           C  
HETATM   40  O   UNL     1       4.167  -2.650  -1.033  1.00  0.00           O  
HETATM   41  C   UNL     1       4.587  -1.603  -1.911  1.00  0.00           C  
HETATM   42  C   UNL     1       4.998  -0.381  -1.087  1.00  0.00           C  
HETATM   43  N   UNL     1       6.178  -0.709  -0.283  1.00  0.00           N  
HETATM   44  C   UNL     1       6.722   0.221   0.526  1.00  0.00           C  
HETATM   45  O   UNL     1       6.234   1.330   0.590  1.00  0.00           O  
HETATM   46  C   UNL     1       7.936  -0.116   1.354  1.00  0.00           C  
HETATM   47  C   UNL     1       8.347   1.106   2.177  1.00  0.00           C  
HETATM   48  N   UNL     1       8.778   2.179   1.278  1.00  0.00           N  
HETATM   49  C   UNL     1       9.488   0.738   3.088  1.00  0.00           C  
HETATM   50  N   UNL     1       9.520   0.786   4.389  1.00  0.00           N  
HETATM   51  N   UNL     1      10.676   0.405   4.810  1.00  0.00           N  
HETATM   52  C   UNL     1      11.440   0.090   3.795  1.00  0.00           C  
HETATM   53  C   UNL     1      12.865  -0.397   3.858  1.00  0.00           C  
HETATM   54  N   UNL     1      10.702   0.285   2.676  1.00  0.00           N  
HETATM   55  C   UNL     1      11.056   0.071   1.342  1.00  0.00           C  
HETATM   56  S   UNL     1      12.108  -1.155   0.794  1.00  0.00           S  
HETATM   57  C   UNL     1      11.897  -0.698  -0.885  1.00  0.00           C  
HETATM   58  C   UNL     1      12.548  -1.395  -2.051  1.00  0.00           C  
HETATM   59  C   UNL     1      11.086   0.341  -0.987  1.00  0.00           C  
HETATM   60  C   UNL     1      10.706   0.960  -2.308  1.00  0.00           C  
HETATM   61  C   UNL     1      10.595   0.833   0.289  1.00  0.00           C  
HETATM   62  C   UNL     1       9.738   2.027   0.425  1.00  0.00           C  
HETATM   63  C   UNL     1      10.002   3.155  -0.499  1.00  0.00           C  
HETATM   64  C   UNL     1      11.312   3.555  -0.759  1.00  0.00           C  
HETATM   65  C   UNL     1      11.552   4.605  -1.621  1.00  0.00           C  
HETATM   66  C   UNL     1      10.495   5.261  -2.228  1.00  0.00           C  
HETATM   67 CL   UNL     1      10.804   6.582  -3.311  1.00  0.00          Cl  
HETATM   68  C   UNL     1       9.192   4.867  -1.974  1.00  0.00           C  
HETATM   69  C   UNL     1       8.941   3.815  -1.118  1.00  0.00           C  
HETATM   70  H   UNL     1     -14.302   5.852  -1.582  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.990   4.884  -0.867  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.384   4.074  -1.621  1.00  0.00           H  
HETATM   73  H   UNL     1     -16.059   6.712   2.512  1.00  0.00           H  
HETATM   74  H   UNL     1     -17.390   5.746   1.792  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.403   2.283  -0.948  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.876   0.374  -1.222  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.664   3.098   2.887  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.146   1.186   2.593  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.754  -0.929   1.473  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.472  -1.265  -0.121  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.653   0.877  -0.399  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.023   0.291  -0.474  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.875   0.386  -2.547  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.176   0.936  -2.715  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.379  -1.790  -3.458  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.986  -1.370  -5.352  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.249  -2.816  -2.980  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.398  -1.241  -2.979  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.609  -3.234  -1.571  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.507  -4.537  -2.752  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.504  -5.641  -1.774  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.593  -3.884  -1.502  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.009  -5.961  -0.437  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.321  -6.848  -1.250  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.391  -5.619  -2.141  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.109  -4.427   0.941  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.908  -6.152   0.550  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.596  -5.265   1.363  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.299  -3.232   1.333  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.626  -3.088   1.643  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.180  -4.727   2.065  1.00  0.00           H  
HETATM  102  H   UNL     1       0.686  -3.757   2.080  1.00  0.00           H  
HETATM  103  H   UNL     1       0.133  -5.396   2.501  1.00  0.00           H  
HETATM  104  H   UNL     1       2.463  -5.504   1.760  1.00  0.00           H  
HETATM  105  H   UNL     1       1.428  -6.286   0.541  1.00  0.00           H  
HETATM  106  H   UNL     1       4.142  -5.047   0.041  1.00  0.00           H  
HETATM  107  H   UNL     1       3.107  -5.828  -1.178  1.00  0.00           H  
HETATM  108  H   UNL     1       4.591  -4.231  -2.293  1.00  0.00           H  
HETATM  109  H   UNL     1       2.920  -3.621  -2.364  1.00  0.00           H  
HETATM  110  H   UNL     1       5.435  -1.945  -2.503  1.00  0.00           H  
HETATM  111  H   UNL     1       3.765  -1.334  -2.574  1.00  0.00           H  
HETATM  112  H   UNL     1       5.233   0.446  -1.757  1.00  0.00           H  
HETATM  113  H   UNL     1       4.178  -0.094  -0.429  1.00  0.00           H  
HETATM  114  H   UNL     1       6.568  -1.596  -0.334  1.00  0.00           H  
HETATM  115  H   UNL     1       7.700  -0.943   2.023  1.00  0.00           H  
HETATM  116  H   UNL     1       8.755  -0.404   0.695  1.00  0.00           H  
HETATM  117  H   UNL     1       7.500   1.446   2.772  1.00  0.00           H  
HETATM  118  H   UNL     1      12.875  -1.485   3.924  1.00  0.00           H  
HETATM  119  H   UNL     1      13.397  -0.082   2.960  1.00  0.00           H  
HETATM  120  H   UNL     1      13.354   0.025   4.737  1.00  0.00           H  
HETATM  121  H   UNL     1      13.164  -2.217  -1.686  1.00  0.00           H  
HETATM  122  H   UNL     1      11.779  -1.786  -2.717  1.00  0.00           H  
HETATM  123  H   UNL     1      13.174  -0.687  -2.595  1.00  0.00           H  
HETATM  124  H   UNL     1       9.794   0.493  -2.678  1.00  0.00           H  
HETATM  125  H   UNL     1      10.540   2.029  -2.174  1.00  0.00           H  
HETATM  126  H   UNL     1      11.511   0.805  -3.026  1.00  0.00           H  
HETATM  127  H   UNL     1      12.138   3.044  -0.285  1.00  0.00           H  
HETATM  128  H   UNL     1      12.567   4.915  -1.822  1.00  0.00           H  
HETATM  129  H   UNL     1       8.371   5.383  -2.451  1.00  0.00           H  
HETATM  130  H   UNL     1       7.924   3.507  -0.924  1.00  0.00           H  
HETATM  131  H   UNL     1     -15.855   6.670  -0.048  1.00  0.00           H  
CONECT    1    2   70   71   72                                       
CONECT    2    1    3    6    6                                       
CONECT    3    2    4  131                                            
CONECT    4    3    5   73   74                                       
CONECT    5    4    6                                                 
CONECT    6    2    2    5    7                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   75                                       
CONECT    9    8   12   12   76                                       
CONECT   10    7   11   11   77                                       
CONECT   11   10   10   12   78                                       
CONECT   12    9    9   11   13                                       
CONECT   13   12   14   79   80                                       
CONECT   14   13   15   81                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   22   82                                       
CONECT   18   17   19   83   84                                       
CONECT   19   18   20   21   85                                       
CONECT   20   19   86                                                 
CONECT   21   19   22   87   88                                       
CONECT   22   17   21   23                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30   89                                       
CONECT   26   25   27   28   29                                       
CONECT   27   26   90   91   92                                       
CONECT   28   26   93   94   95                                       
CONECT   29   26   96   97   98                                       
CONECT   30   25   31   99                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34  100  101                                       
CONECT   34   33   35                                                 
CONECT   35   34   36  102  103                                       
CONECT   36   35   37  104  105                                       
CONECT   37   36   38                                                 
CONECT   38   37   39  106  107                                       
CONECT   39   38   40  108  109                                       
CONECT   40   39   41                                                 
CONECT   41   40   42  110  111                                       
CONECT   42   41   43  112  113                                       
CONECT   43   42   44  114                                            
CONECT   44   43   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47  115  116                                       
CONECT   47   46   48   49  117                                       
CONECT   48   47   62   62                                            
CONECT   49   47   50   50   54                                       
CONECT   50   49   49   51                                            
CONECT   51   50   52   52                                            
CONECT   52   51   51   53   54                                       
CONECT   53   52  118  119  120                                       
CONECT   54   49   52   55                                            
CONECT   55   54   56   61   61                                       
CONECT   56   55   57                                                 
CONECT   57   56   58   59   59                                       
CONECT   58   57  121  122  123                                       
CONECT   59   57   57   60   61                                       
CONECT   60   59  124  125  126                                       
CONECT   61   55   55   59   62                                       
CONECT   62   48   48   61   63                                       
CONECT   63   62   64   64   69                                       
CONECT   64   63   63   65  127                                       
CONECT   65   64   66   66  128                                       
CONECT   66   65   65   67   68                                       
CONECT   67   66                                                      
CONECT   68   66   69   69  129                                       
CONECT   69   63   68   68  130                                       
CONECT   70    1                                                      
CONECT   71    1                                                      
CONECT   72    1                                                      
CONECT   73    4                                                      
CONECT   74    4                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   10                                                      
CONECT   78   11                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   17                                                      
CONECT   83   18                                                      
CONECT   84   18                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   25                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   35                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   36                                                      
CONECT  106   38                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   41                                                      
CONECT  111   41                                                      
CONECT  112   42                                                      
CONECT  113   42                                                      
CONECT  114   43                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   47                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   53                                                      
CONECT  121   58                                                      
CONECT  122   58                                                      
CONECT  123   58                                                      
CONECT  124   60                                                      
CONECT  125   60                                                      
CONECT  126   60                                                      
CONECT  127   64                                                      
CONECT  128   65                                                      
CONECT  129   68                                                      
CONECT  130   69                                                      
CONECT  131    3                                                      
MASTER        0    0    0    0    0    0    0    0  131    0  131    0
END
