COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      52.545  13.768  30.073  1.00  0.00           C  
HETATM    2  C   UNL     1      52.721  12.411  30.667  1.00  0.00           C  
HETATM    3  C   UNL     1      53.324  14.857  30.563  1.00  0.00           C  
HETATM    4  N   UNL     1      52.784  11.234  29.981  1.00  0.00           N  
HETATM    5  C   UNL     1      52.941  10.053  30.827  1.00  0.00           C  
HETATM    6  C   UNL     1      53.013   8.653  30.269  1.00  0.00           C  
HETATM    7  O   UNL     1      53.441   7.700  30.943  1.00  0.00           O  
HETATM    8  C   UNL     1      52.993  10.378  32.121  1.00  0.00           C  
HETATM    9  S   UNL     1      52.850  12.111  32.368  1.00  0.00           S  
HETATM   10  N   UNL     1      52.563   8.555  29.038  1.00  0.00           N  
HETATM   11  C   UNL     1      52.377   7.337  28.271  1.00  0.00           C  
HETATM   12  C   UNL     1      53.638   6.991  27.447  1.00  0.00           C  
HETATM   13  C   UNL     1      51.130   7.360  27.338  1.00  0.00           C  
HETATM   14  C   UNL     1      51.140   8.408  26.221  1.00  0.00           C  
HETATM   15  O   UNL     1      52.066   9.212  26.068  1.00  0.00           O  
HETATM   16  N   UNL     1      50.041   8.321  25.442  1.00  0.00           N  
HETATM   17  C   UNL     1      49.845   9.208  24.296  1.00  0.00           C  
HETATM   18  N   UNL     1      53.678   5.964  26.593  1.00  0.00           N  
HETATM   19  C   UNL     1      54.948   5.823  25.870  1.00  0.00           C  
HETATM   20  C   UNL     1      55.072   4.715  24.862  1.00  0.00           C  
HETATM   21  O   UNL     1      56.077   4.544  24.186  1.00  0.00           O  
HETATM   22  C   UNL     1      55.849   6.771  26.227  1.00  0.00           C  
HETATM   23  S   UNL     1      55.165   7.848  27.439  1.00  0.00           S  
HETATM   24  C   UNL     1      57.265   6.983  25.722  1.00  0.00           C  
HETATM   25  N   UNL     1      54.005   3.938  24.761  1.00  0.00           N  
HETATM   26  C   UNL     1      53.803   2.854  23.811  1.00  0.00           C  
HETATM   27  C   UNL     1      52.311   2.865  23.488  1.00  0.00           C  
HETATM   28  C   UNL     1      54.245   1.465  24.406  1.00  0.00           C  
HETATM   29  C   UNL     1      54.010   0.323  23.406  1.00  0.00           C  
HETATM   30  C   UNL     1      55.732   1.407  24.787  1.00  0.00           C  
HETATM   31  N   UNL     1      51.355   3.129  24.357  1.00  0.00           N  
HETATM   32  C   UNL     1      50.007   3.053  23.793  1.00  0.00           C  
HETATM   33  C   UNL     1      48.847   3.327  24.692  1.00  0.00           C  
HETATM   34  O   UNL     1      47.691   3.273  24.260  1.00  0.00           O  
HETATM   35  C   UNL     1      50.011   2.715  22.474  1.00  0.00           C  
HETATM   36  S   UNL     1      51.655   2.506  21.907  1.00  0.00           S  
HETATM   37  C   UNL     1      48.855   2.515  21.490  1.00  0.00           C  
HETATM   38  O   UNL     1      48.000   3.649  21.380  1.00  0.00           O  
HETATM   39  C   UNL     1      47.621   4.025  20.066  1.00  0.00           C  
HETATM   40  N   UNL     1      49.161   3.654  25.972  1.00  0.00           N  
HETATM   41  C   UNL     1      48.108   3.979  26.913  1.00  0.00           C  
HETATM   42  C   UNL     1      47.802   5.493  26.829  1.00  0.00           C  
HETATM   43  O   UNL     1      48.404   6.230  26.065  1.00  0.00           O  
HETATM   44  N   UNL     1      46.821   5.890  27.648  1.00  0.00           N  
HETATM   45  C   UNL     1      46.365   7.267  27.805  1.00  0.00           C  
HETATM   46  C   UNL     1      47.375   8.157  28.543  1.00  0.00           C  
HETATM   47  C   UNL     1      45.088   7.266  28.680  1.00  0.00           C  
HETATM   48  O   UNL     1      44.624   8.568  28.919  1.00  0.00           O  
HETATM   49  C   UNL     1      43.974   6.474  27.979  1.00  0.00           C  
HETATM   50  C   UNL     1      43.692   6.710  26.588  1.00  0.00           C  
HETATM   51  C   UNL     1      42.675   5.986  25.896  1.00  0.00           C  
HETATM   52  C   UNL     1      41.913   5.012  26.588  1.00  0.00           C  
HETATM   53  C   UNL     1      42.170   4.767  27.974  1.00  0.00           C  
HETATM   54  C   UNL     1      43.201   5.498  28.662  1.00  0.00           C  
HETATM   55  N   UNL     1      47.928   9.210  27.996  1.00  0.00           N  
HETATM   56  C   UNL     1      48.800   9.921  28.898  1.00  0.00           C  
HETATM   57  C   UNL     1      49.474  11.110  28.440  1.00  0.00           C  
HETATM   58  C   UNL     1      48.889   9.386  30.108  1.00  0.00           C  
HETATM   59  S   UNL     1      47.903   7.952  30.225  1.00  0.00           S  
HETATM   60  N   UNL     1      50.240  11.899  29.175  1.00  0.00           N  
HETATM   61  C   UNL     1      50.769  13.048  28.445  1.00  0.00           C  
HETATM   62  C   UNL     1      51.630  14.056  29.026  1.00  0.00           C  
HETATM   63  C   UNL     1      50.361  13.075  27.165  1.00  0.00           C  
HETATM   64  S   UNL     1      49.328  11.723  26.789  1.00  0.00           S  
HETATM   65  N   UNL     1      51.496  15.286  28.500  1.00  0.00           N  
HETATM   66  C   UNL     1      52.226  16.313  28.940  1.00  0.00           C  
HETATM   67  C   UNL     1      52.011  17.593  28.247  1.00  0.00           C  
HETATM   68  C   UNL     1      53.171  16.154  29.993  1.00  0.00           C  
HETATM   69  N   UNL     1      52.801  18.676  28.376  1.00  0.00           N  
HETATM   70  O   UNL     1      52.963  21.909  25.479  1.00  0.00           O  
HETATM   71  O   UNL     1      56.352  28.922  27.897  1.00  0.00           O  
HETATM   72  C   UNL     1      52.420  19.818  27.538  1.00  0.00           C  
HETATM   73  C   UNL     1      51.335  19.547  26.795  1.00  0.00           C  
HETATM   74  S   UNL     1      50.730  17.930  27.066  1.00  0.00           S  
HETATM   75  O   UNL     1      56.012  28.804  25.653  1.00  0.00           O  
HETATM   76  O   UNL     1      54.178  22.979  27.013  1.00  0.00           O  
HETATM   77  N   UNL     1      53.214  21.078  27.601  1.00  0.00           N  
HETATM   78  C   UNL     1      53.409  21.981  26.598  1.00  0.00           C  
HETATM   79  C   UNL     1      54.565  24.097  26.252  1.00  0.00           C  
HETATM   80  C   UNL     1      53.553  25.226  26.592  1.00  0.00           C  
HETATM   81  C   UNL     1      54.090  26.644  26.344  1.00  0.00           C  
HETATM   82  C   UNL     1      55.471  26.858  27.018  1.00  0.00           C  
HETATM   83  C   UNL     1      56.491  25.839  26.464  1.00  0.00           C  
HETATM   84  C   UNL     1      56.024  24.391  26.702  1.00  0.00           C  
HETATM   85  C   UNL     1      55.967  28.297  26.749  1.00  0.00           C  
HETATM   86  H   UNL     1      53.325  13.544  29.330  1.00  0.00           H  
HETATM   87  H   UNL     1      53.098  14.952  31.635  1.00  0.00           H  
HETATM   88  H   UNL     1      54.380  14.576  30.434  1.00  0.00           H  
HETATM   89  H   UNL     1      53.563  11.277  29.356  1.00  0.00           H  
HETATM   90  H   UNL     1      53.109   9.661  32.920  1.00  0.00           H  
HETATM   91  H   UNL     1      52.323   9.411  28.581  1.00  0.00           H  
HETATM   92  H   UNL     1      52.225   6.510  28.981  1.00  0.00           H  
HETATM   93  H   UNL     1      51.044   6.369  26.868  1.00  0.00           H  
HETATM   94  H   UNL     1      50.245   7.546  27.965  1.00  0.00           H  
HETATM   95  H   UNL     1      49.345   7.635  25.653  1.00  0.00           H  
HETATM   96  H   UNL     1      48.891   8.967  23.804  1.00  0.00           H  
HETATM   97  H   UNL     1      49.827  10.253  24.640  1.00  0.00           H  
HETATM   98  H   UNL     1      50.670   9.072  23.582  1.00  0.00           H  
HETATM   99  H   UNL     1      52.948   6.088  25.921  1.00  0.00           H  
HETATM  100  H   UNL     1      57.708   7.855  26.226  1.00  0.00           H  
HETATM  101  H   UNL     1      57.869   6.089  25.938  1.00  0.00           H  
HETATM  102  H   UNL     1      57.245   7.158  24.636  1.00  0.00           H  
HETATM  103  H   UNL     1      53.260   4.114  25.405  1.00  0.00           H  
HETATM  104  H   UNL     1      54.376   3.042  22.891  1.00  0.00           H  
HETATM  105  H   UNL     1      53.644   1.272  25.307  1.00  0.00           H  
HETATM  106  H   UNL     1      54.329  -0.629  23.854  1.00  0.00           H  
HETATM  107  H   UNL     1      52.940   0.270  23.155  1.00  0.00           H  
HETATM  108  H   UNL     1      54.592   0.511  22.492  1.00  0.00           H  
HETATM  109  H   UNL     1      55.968   0.413  25.194  1.00  0.00           H  
HETATM  110  H   UNL     1      56.347   1.594  23.894  1.00  0.00           H  
HETATM  111  H   UNL     1      55.946   2.174  25.546  1.00  0.00           H  
HETATM  112  H   UNL     1      51.497   4.053  24.711  1.00  0.00           H  
HETATM  113  H   UNL     1      49.276   2.299  20.497  1.00  0.00           H  
HETATM  114  H   UNL     1      48.254   1.658  21.828  1.00  0.00           H  
HETATM  115  H   UNL     1      46.966   4.907  20.111  1.00  0.00           H  
HETATM  116  H   UNL     1      48.520   4.266  19.480  1.00  0.00           H  
HETATM  117  H   UNL     1      47.083   3.193  19.587  1.00  0.00           H  
HETATM  118  H   UNL     1      50.117   3.671  26.265  1.00  0.00           H  
HETATM  119  H   UNL     1      47.202   3.406  26.664  1.00  0.00           H  
HETATM  120  H   UNL     1      48.434   3.725  27.932  1.00  0.00           H  
HETATM  121  H   UNL     1      46.365   5.188  28.195  1.00  0.00           H  
HETATM  122  H   UNL     1      46.134   7.710  26.825  1.00  0.00           H  
HETATM  123  H   UNL     1      45.323   6.766  29.631  1.00  0.00           H  
HETATM  124  H   UNL     1      43.842   8.532  29.457  1.00  0.00           H  
HETATM  125  H   UNL     1      44.264   7.454  26.054  1.00  0.00           H  
HETATM  126  H   UNL     1      43.389   5.303  29.707  1.00  0.00           H  
HETATM  127  H   UNL     1      42.487   6.180  24.850  1.00  0.00           H  
HETATM  128  H   UNL     1      41.143   4.458  26.072  1.00  0.00           H  
HETATM  129  H   UNL     1      41.587   4.030  28.506  1.00  0.00           H  
HETATM  130  H   UNL     1      47.204   9.831  27.697  1.00  0.00           H  
HETATM  131  H   UNL     1      49.490   9.784  30.912  1.00  0.00           H  
HETATM  132  H   UNL     1      51.010  11.361  29.518  1.00  0.00           H  
HETATM  133  H   UNL     1      50.639  13.841  26.456  1.00  0.00           H  
HETATM  134  H   UNL     1      54.153  16.457  29.600  1.00  0.00           H  
HETATM  135  H   UNL     1      52.875  16.835  30.804  1.00  0.00           H  
HETATM  136  H   UNL     1      53.735  18.411  28.135  1.00  0.00           H  
HETATM  137  H   UNL     1      56.653  29.800  27.694  1.00  0.00           H  
HETATM  138  H   UNL     1      50.887  20.249  26.108  1.00  0.00           H  
HETATM  139  H   UNL     1      53.652  21.284  28.476  1.00  0.00           H  
HETATM  140  H   UNL     1      54.543  23.888  25.172  1.00  0.00           H  
HETATM  141  H   UNL     1      52.655  25.083  25.973  1.00  0.00           H  
HETATM  142  H   UNL     1      53.283  25.140  27.655  1.00  0.00           H  
HETATM  143  H   UNL     1      54.193  26.802  25.260  1.00  0.00           H  
HETATM  144  H   UNL     1      53.376  27.373  26.754  1.00  0.00           H  
HETATM  145  H   UNL     1      55.367  26.710  28.103  1.00  0.00           H  
HETATM  146  H   UNL     1      56.610  26.004  25.383  1.00  0.00           H  
HETATM  147  H   UNL     1      57.458  25.991  26.967  1.00  0.00           H  
HETATM  148  H   UNL     1      56.100  24.179  27.779  1.00  0.00           H  
HETATM  149  H   UNL     1      56.696  23.719  26.148  1.00  0.00           H  
CONECT    1    2    3   86   62                                       
CONECT    2    1    4    9                                            
CONECT    3    1   87   88   68                                       
CONECT    4    5   89    2                                            
CONECT    5    4    6    8    8                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6                                                 
CONECT    8    5    5    9   90                                       
CONECT    9    8    2                                                 
CONECT   10   11   91    6                                            
CONECT   11   10   12   13   92                                       
CONECT   12   11   18   23                                            
CONECT   13   11   14   93   94                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   95                                            
CONECT   17   16   96   97   98                                       
CONECT   18   19   99   12                                            
CONECT   19   18   20   22   22                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20                                                 
CONECT   22   19   19   23   24                                       
CONECT   23   22   12                                                 
CONECT   24   22  100  101  102                                       
CONECT   25   26  103   20                                            
CONECT   26   25   27   28  104                                       
CONECT   27   26   31   36                                            
CONECT   28   26   29   30  105                                       
CONECT   29   28  106  107  108                                       
CONECT   30   28  109  110  111                                       
CONECT   31   32  112   27                                            
CONECT   32   31   33   35   35                                       
CONECT   33   32   34   34   40                                       
CONECT   34   33   33                                                 
CONECT   35   32   32   36   37                                       
CONECT   36   35   27                                                 
CONECT   37   35   38  113  114                                       
CONECT   38   37   39                                                 
CONECT   39   38  115  116  117                                       
CONECT   40   41  118   33                                            
CONECT   41   40   42  119  120                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   45  121   42                                            
CONECT   45   44   46   47  122                                       
CONECT   46   45   55   59                                            
CONECT   47   45   48   49  123                                       
CONECT   48   47  124                                                 
CONECT   49   47   50   54   54                                       
CONECT   50   49   51   51  125                                       
CONECT   51   50   50   52  127                                       
CONECT   52   51   53   53  128                                       
CONECT   53   52   52   54  129                                       
CONECT   54   49   49   53  126                                       
CONECT   55   56  130   46                                            
CONECT   56   55   57   58   58                                       
CONECT   57   56   64   60                                            
CONECT   58   56   56   59  131                                       
CONECT   59   58   46                                                 
CONECT   60   61  132   57                                            
CONECT   61   60   62   63   63                                       
CONECT   62   61    1   65                                            
CONECT   63   61   61   64  133                                       
CONECT   64   63   57                                                 
CONECT   65   66   66   62                                            
CONECT   66   65   65   67   68                                       
CONECT   67   66   74   69                                            
CONECT   68   66  134  135    3                                       
CONECT   69  136   72   67                                            
CONECT   70   78   78                                                 
CONECT   71   85  137                                                 
CONECT   72   69   77   73   73                                       
CONECT   73   72   72   74  138                                       
CONECT   74   73   67                                                 
CONECT   75   85   85                                                 
CONECT   76   79   78                                                 
CONECT   77   72   78  139                                            
CONECT   78   70   70   76   77                                       
CONECT   79   76   84   80  140                                       
CONECT   80   79   81  141  142                                       
CONECT   81   80   82  143  144                                       
CONECT   82   81   85   83  145                                       
CONECT   83   82   84  146  147                                       
CONECT   84   79   83  148  149                                       
CONECT   85   75   75   82   71                                       
CONECT   86    1                                                      
CONECT   87    3                                                      
CONECT   88    3                                                      
CONECT   89    4                                                      
CONECT   90    8                                                      
CONECT   91   10                                                      
CONECT   92   11                                                      
CONECT   93   13                                                      
CONECT   94   13                                                      
CONECT   95   16                                                      
CONECT   96   17                                                      
CONECT   97   17                                                      
CONECT   98   17                                                      
CONECT   99   18                                                      
CONECT  100   24                                                      
CONECT  101   24                                                      
CONECT  102   24                                                      
CONECT  103   25                                                      
CONECT  104   26                                                      
CONECT  105   28                                                      
CONECT  106   29                                                      
CONECT  107   29                                                      
CONECT  108   29                                                      
CONECT  109   30                                                      
CONECT  110   30                                                      
CONECT  111   30                                                      
CONECT  112   31                                                      
CONECT  113   37                                                      
CONECT  114   37                                                      
CONECT  115   39                                                      
CONECT  116   39                                                      
CONECT  117   39                                                      
CONECT  118   40                                                      
CONECT  119   41                                                      
CONECT  120   41                                                      
CONECT  121   44                                                      
CONECT  122   45                                                      
CONECT  123   47                                                      
CONECT  124   48                                                      
CONECT  125   50                                                      
CONECT  126   54                                                      
CONECT  127   51                                                      
CONECT  128   52                                                      
CONECT  129   53                                                      
CONECT  130   55                                                      
CONECT  131   58                                                      
CONECT  132   60                                                      
CONECT  133   63                                                      
CONECT  134   68                                                      
CONECT  135   68                                                      
CONECT  136   69                                                      
CONECT  137   71                                                      
CONECT  138   73                                                      
CONECT  139   77                                                      
CONECT  140   79                                                      
CONECT  141   80                                                      
CONECT  142   80                                                      
CONECT  143   81                                                      
CONECT  144   81                                                      
CONECT  145   82                                                      
CONECT  146   83                                                      
CONECT  147   83                                                      
CONECT  148   84                                                      
CONECT  149   84                                                      
MASTER        0    0    0    0    0    0    0    0  149    0  149    0
END
