COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.482  11.244  -3.501  1.00  0.00           C  
HETATM    2  C   UNL     1       5.203   9.795  -3.192  1.00  0.00           C  
HETATM    3  O   UNL     1       4.119   9.706  -2.266  1.00  0.00           O  
HETATM    4  C   UNL     1       3.804   8.471  -1.804  1.00  0.00           C  
HETATM    5  C   UNL     1       4.431   7.344  -2.301  1.00  0.00           C  
HETATM    6  CA  UNL     1       4.083   6.082  -1.803  1.00  0.00           C  
HETATM    7  C   UNL     1       4.761   4.880  -2.341  1.00  0.00           C  
HETATM    8  O   UNL     1       5.647   4.999  -3.162  1.00  0.00           O  
HETATM    9  OXT UNL     1       4.394   3.655  -1.918  1.00  0.00           O  
HETATM   10  N   UNL     1       3.165   5.939  -0.864  1.00  0.00           N  
HETATM   11  C   UNL     1       2.527   6.987  -0.347  1.00  0.00           C  
HETATM   12  C   UNL     1       2.828   8.298  -0.796  1.00  0.00           C  
HETATM   13  C   UNL     1       2.155   9.396  -0.241  1.00  0.00           C  
HETATM   14  C   UNL     1       1.219   9.200   0.730  1.00  0.00           C  
HETATM   15  C   UNL     1       0.915   7.921   1.186  1.00  0.00           C  
HETATM   16  C   UNL     1       1.545   6.816   0.658  1.00  0.00           C  
HETATM   17  N   UNL     1       1.232   5.539   1.123  1.00  0.00           N  
HETATM   18  C   UNL     1       0.054   5.317   1.739  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.783   6.196   1.785  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.221   4.000   2.361  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.446   3.789   3.004  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.710   2.563   3.585  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.888   2.329   4.215  1.00  0.00           O  
HETATM   24  N   UNL     1       0.695   3.050   2.290  1.00  0.00           N  
HETATM   25  C   UNL     1       0.498   1.849   2.831  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.716   1.562   3.504  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.915   0.295   4.071  1.00  0.00           C  
HETATM   28  C   UNL     1       0.058  -0.654   3.974  1.00  0.00           C  
HETATM   29  C   UNL     1       1.256  -0.388   3.317  1.00  0.00           C  
HETATM   30  C   UNL     1       1.489   0.844   2.747  1.00  0.00           C  
HETATM   31  N   UNL     1       2.694   1.097   2.090  1.00  0.00           N  
HETATM   32  C   UNL     1       3.391   0.081   1.546  1.00  0.00           C  
HETATM   33  O   UNL     1       3.004  -1.063   1.680  1.00  0.00           O  
HETATM   34  C   UNL     1       4.631   0.359   0.783  1.00  0.00           C  
HETATM   35  C   UNL     1       5.091   1.677   0.682  1.00  0.00           C  
HETATM   36  C   UNL     1       6.249   1.944  -0.023  1.00  0.00           C  
HETATM   37  O   UNL     1       6.721   3.210  -0.139  1.00  0.00           O  
HETATM   38  N   UNL     1       5.278  -0.644   0.218  1.00  0.00           N  
HETATM   39  C   UNL     1       6.397  -0.449  -0.478  1.00  0.00           C  
HETATM   40  C   UNL     1       6.928   0.858  -0.621  1.00  0.00           C  
HETATM   41  C   UNL     1       8.110   1.053  -1.350  1.00  0.00           C  
HETATM   42  C   UNL     1       8.745  -0.012  -1.916  1.00  0.00           C  
HETATM   43  C   UNL     1       8.239  -1.302  -1.781  1.00  0.00           C  
HETATM   44  C   UNL     1       7.078  -1.535  -1.076  1.00  0.00           C  
HETATM   45  N   UNL     1       6.585  -2.833  -0.945  1.00  0.00           N  
HETATM   46  C   UNL     1       7.432  -3.881  -0.958  1.00  0.00           C  
HETATM   47  O   UNL     1       8.614  -3.704  -1.180  1.00  0.00           O  
HETATM   48  C   UNL     1       6.923  -5.248  -0.703  1.00  0.00           C  
HETATM   49  C   UNL     1       7.832  -6.310  -0.610  1.00  0.00           C  
HETATM   50  C   UNL     1       7.366  -7.589  -0.371  1.00  0.00           C  
HETATM   51  O   UNL     1       8.221  -8.637  -0.276  1.00  0.00           O  
HETATM   52  C   UNL     1       9.618  -8.340  -0.313  1.00  0.00           C  
HETATM   53  C   UNL     1      10.418  -9.622  -0.073  1.00  0.00           C  
HETATM   54  C   UNL     1      10.203 -10.584  -1.243  1.00  0.00           C  
HETATM   55  C   UNL     1      11.906  -9.281   0.039  1.00  0.00           C  
HETATM   56  N   UNL     1       5.624  -5.437  -0.562  1.00  0.00           N  
HETATM   57  C   UNL     1       5.115  -6.646  -0.331  1.00  0.00           C  
HETATM   58  C   UNL     1       5.971  -7.771  -0.229  1.00  0.00           C  
HETATM   59  C   UNL     1       5.427  -9.040   0.014  1.00  0.00           C  
HETATM   60  C   UNL     1       4.079  -9.188   0.151  1.00  0.00           C  
HETATM   61  C   UNL     1       3.225  -8.093   0.054  1.00  0.00           C  
HETATM   62  C   UNL     1       3.721  -6.830  -0.183  1.00  0.00           C  
HETATM   63  N   UNL     1       2.853  -5.740  -0.278  1.00  0.00           N  
HETATM   64  C   UNL     1       1.608  -5.824   0.230  1.00  0.00           C  
HETATM   65  O   UNL     1       1.235  -6.854   0.758  1.00  0.00           O  
HETATM   66  N   UNL     1       0.777  -4.766   0.154  1.00  0.00           N  
HETATM   67  C   UNL     1      -0.611  -4.891   0.608  1.00  0.00           C  
HETATM   68  C   UNL     1      -1.366  -3.596   0.299  1.00  0.00           C  
HETATM   69  C   UNL     1      -2.843  -3.769   0.660  1.00  0.00           C  
HETATM   70  C   UNL     1      -3.575  -2.440   0.467  1.00  0.00           C  
HETATM   71  O   UNL     1      -4.926  -2.570   0.912  1.00  0.00           O  
HETATM   72  C   UNL     1      -5.719  -1.471   0.808  1.00  0.00           C  
HETATM   73  C   UNL     1      -7.042  -1.528   1.222  1.00  0.00           C  
HETATM   74  C   UNL     1      -5.205  -0.289   0.295  1.00  0.00           C  
HETATM   75  C   UNL     1      -6.012   0.826   0.191  1.00  0.00           C  
HETATM   76  C   UNL     1      -7.332   0.766   0.599  1.00  0.00           C  
HETATM   77  C   UNL     1      -7.845  -0.409   1.116  1.00  0.00           C  
HETATM   78  C   UNL     1      -9.285  -0.471   1.559  1.00  0.00           C  
HETATM   79  N   UNL     1     -10.125  -0.886   0.434  1.00  0.00           N  
HETATM   80  C   UNL     1     -11.457  -1.011   0.597  1.00  0.00           C  
HETATM   81  O   UNL     1     -11.961  -0.779   1.679  1.00  0.00           O  
HETATM   82  C   UNL     1     -12.305  -1.431  -0.539  1.00  0.00           C  
HETATM   83  C   UNL     1     -13.685  -1.561  -0.373  1.00  0.00           C  
HETATM   84  C   UNL     1     -14.471  -1.952  -1.437  1.00  0.00           C  
HETATM   85  C   UNL     1     -13.894  -2.216  -2.667  1.00  0.00           C  
HETATM   86  S   UNL     1     -14.904  -2.721  -4.019  1.00  0.00           S  
HETATM   87  O   UNL     1     -16.213  -2.243  -3.743  1.00  0.00           O  
HETATM   88  O   UNL     1     -14.188  -2.389  -5.201  1.00  0.00           O  
HETATM   89  N   UNL     1     -14.991  -4.374  -3.974  1.00  0.00           N  
HETATM   90  C   UNL     1     -12.527  -2.088  -2.838  1.00  0.00           C  
HETATM   91  C   UNL     1     -11.730  -1.692  -1.784  1.00  0.00           C  
HETATM   92  O   UNL     1       6.391  11.568  -4.434  1.00  0.00           O  
HETATM   93  O   UNL     1       4.883  12.113  -2.913  1.00  0.00           O  
HETATM   94  C   UNL     1      -3.877   3.358   4.146  1.00  0.00           C  
HETATM   95  C   UNL     1      -5.128   2.915   4.909  1.00  0.00           C  
HETATM   96  C   UNL     1      -6.187   4.017   4.835  1.00  0.00           C  
HETATM   97  N   UNL     1      -7.387   3.592   5.567  1.00  0.00           N  
HETATM   98  H   UNL     1       4.940   9.272  -4.111  1.00  0.00           H  
HETATM   99  H   UNL     1       6.092   9.340  -2.756  1.00  0.00           H  
HETATM  100  H   UNL     1       5.185   7.436  -3.069  1.00  0.00           H  
HETATM  101  HXT UNL     1       4.923   2.907  -2.230  1.00  0.00           H  
HETATM  102  H   UNL     1       2.379  10.395  -0.582  1.00  0.00           H  
HETATM  103  H   UNL     1       0.706  10.052   1.153  1.00  0.00           H  
HETATM  104  H   UNL     1       0.169   7.792   1.956  1.00  0.00           H  
HETATM  105  H   UNL     1       1.861   4.811   1.004  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.181   4.580   3.045  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.838   0.072   4.585  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.102  -1.628   4.414  1.00  0.00           H  
HETATM  109  H   UNL     1       2.012  -1.157   3.254  1.00  0.00           H  
HETATM  110  H   UNL     1       3.029   2.005   2.026  1.00  0.00           H  
HETATM  111  H   UNL     1       4.544   2.481   1.152  1.00  0.00           H  
HETATM  112  H   UNL     1       6.415   3.673  -0.930  1.00  0.00           H  
HETATM  113  H   UNL     1       8.516   2.047  -1.465  1.00  0.00           H  
HETATM  114  H   UNL     1       9.654   0.147  -2.476  1.00  0.00           H  
HETATM  115  H   UNL     1       8.760  -2.129  -2.239  1.00  0.00           H  
HETATM  116  H   UNL     1       5.632  -2.981  -0.844  1.00  0.00           H  
HETATM  117  H   UNL     1       8.891  -6.130  -0.725  1.00  0.00           H  
HETATM  118  H   UNL     1       9.876  -7.928  -1.289  1.00  0.00           H  
HETATM  119  H   UNL     1       9.856  -7.613   0.463  1.00  0.00           H  
HETATM  120  H   UNL     1      10.082 -10.093   0.850  1.00  0.00           H  
HETATM  121  H   UNL     1      10.455 -10.082  -2.178  1.00  0.00           H  
HETATM  122  H   UNL     1      10.841 -11.459  -1.117  1.00  0.00           H  
HETATM  123  H   UNL     1       9.159 -10.897  -1.269  1.00  0.00           H  
HETATM  124  H   UNL     1      12.048  -8.530   0.816  1.00  0.00           H  
HETATM  125  H   UNL     1      12.466 -10.180   0.296  1.00  0.00           H  
HETATM  126  H   UNL     1      12.262  -8.891  -0.914  1.00  0.00           H  
HETATM  127  H   UNL     1       6.075  -9.900   0.092  1.00  0.00           H  
HETATM  128  H   UNL     1       3.667 -10.169   0.338  1.00  0.00           H  
HETATM  129  H   UNL     1       2.161  -8.236   0.166  1.00  0.00           H  
HETATM  130  H   UNL     1       3.147  -4.923  -0.710  1.00  0.00           H  
HETATM  131  H   UNL     1       1.097  -3.922  -0.201  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.089  -5.722   0.090  1.00  0.00           H  
HETATM  133  H   UNL     1      -0.627  -5.073   1.682  1.00  0.00           H  
HETATM  134  H   UNL     1      -0.942  -2.780   0.884  1.00  0.00           H  
HETATM  135  H   UNL     1      -1.276  -3.367  -0.763  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.289  -4.526   0.015  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.928  -4.083   1.701  1.00  0.00           H  
HETATM  138  H   UNL     1      -3.075  -1.663   1.046  1.00  0.00           H  
HETATM  139  H   UNL     1      -3.564  -2.169  -0.589  1.00  0.00           H  
HETATM  140  H   UNL     1      -7.443  -2.445   1.625  1.00  0.00           H  
HETATM  141  H   UNL     1      -4.174  -0.242  -0.024  1.00  0.00           H  
HETATM  142  H   UNL     1      -5.612   1.747  -0.209  1.00  0.00           H  
HETATM  143  H   UNL     1      -7.962   1.640   0.517  1.00  0.00           H  
HETATM  144  H   UNL     1      -9.384  -1.191   2.372  1.00  0.00           H  
HETATM  145  H   UNL     1      -9.601   0.513   1.905  1.00  0.00           H  
HETATM  146  H   UNL     1      -9.723  -1.071  -0.430  1.00  0.00           H  
HETATM  147  H   UNL     1     -14.136  -1.357   0.587  1.00  0.00           H  
HETATM  148  H   UNL     1     -15.538  -2.053  -1.310  1.00  0.00           H  
HETATM  149  H   UNL     1     -15.507  -4.851  -4.643  1.00  0.00           H  
HETATM  150  H   UNL     1     -14.526  -4.866  -3.279  1.00  0.00           H  
HETATM  151  H   UNL     1     -12.083  -2.295  -3.801  1.00  0.00           H  
HETATM  152  H   UNL     1     -10.663  -1.593  -1.919  1.00  0.00           H  
HETATM  153  H   UNL     1       6.479  12.506  -4.653  1.00  0.00           H  
HETATM  154  H   UNL     1      -3.483   4.271   4.593  1.00  0.00           H  
HETATM  155  H   UNL     1      -4.135   3.545   3.103  1.00  0.00           H  
HETATM  156  H   UNL     1      -5.521   2.002   4.462  1.00  0.00           H  
HETATM  157  H   UNL     1      -4.870   2.728   5.951  1.00  0.00           H  
HETATM  158  H   UNL     1      -5.793   4.930   5.281  1.00  0.00           H  
HETATM  159  H   UNL     1      -6.444   4.204   3.792  1.00  0.00           H  
HETATM  160  H   UNL     1      -7.162   3.351   6.520  1.00  0.00           H  
HETATM  161  H   UNL     1      -8.102   4.304   5.533  1.00  0.00           H  
CONECT    1    2   93   93   92                                       
CONECT    2    1    3   98   99                                       
CONECT    3    2    4                                                 
CONECT    4    5    3   12   12                                       
CONECT    5    6    6    4  100                                       
CONECT    6    7    5    5   10                                       
CONECT    7    8    8    6    9                                       
CONECT    8    7    7                                                 
CONECT    9    7  101                                                 
CONECT   10    6   11   11                                            
CONECT   11   10   10   12   16                                       
CONECT   12    4    4   11   13                                       
CONECT   13   12   14   14  102                                       
CONECT   14   13   13   15  103                                       
CONECT   15   16   16   14  104                                       
CONECT   16   11   17   15   15                                       
CONECT   17   16   18  105                                            
CONECT   18   20   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   24   18   21   21                                       
CONECT   21   20   20   22  106                                       
CONECT   22   26   26   21   23                                       
CONECT   23   22   94                                                 
CONECT   24   25   25   20                                            
CONECT   25   30   24   24   26                                       
CONECT   26   25   27   22   22                                       
CONECT   27   28   28   26  107                                       
CONECT   28   29   27   27  108                                       
CONECT   29   30   30   28  109                                       
CONECT   30   29   29   31   25                                       
CONECT   31   32   30  110                                            
CONECT   32   33   33   34   31                                       
CONECT   33   32   32                                                 
CONECT   34   35   35   38   32                                       
CONECT   35   36   34   34  111                                       
CONECT   36   37   40   40   35                                       
CONECT   37   36  112                                                 
CONECT   38   39   39   34                                            
CONECT   39   40   44   38   38                                       
CONECT   40   41   36   36   39                                       
CONECT   41   42   42   40  113                                       
CONECT   42   41   41   43  114                                       
CONECT   43   42   44   44  115                                       
CONECT   44   43   43   39   45                                       
CONECT   45   44   46  116                                            
CONECT   46   45   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46   56   56   49                                       
CONECT   49   48   50   50  117                                       
CONECT   50   49   49   58   51                                       
CONECT   51   50   52                                                 
CONECT   52   51   53  118  119                                       
CONECT   53   52   54   55  120                                       
CONECT   54   53  121  122  123                                       
CONECT   55   53  124  125  126                                       
CONECT   56   48   48   57                                            
CONECT   57   56   62   62   58                                       
CONECT   58   57   50   59   59                                       
CONECT   59   58   58   60  127                                       
CONECT   60   61   61   59  128                                       
CONECT   61   62   60   60  129                                       
CONECT   62   63   57   57   61                                       
CONECT   63   64   62  130                                            
CONECT   64   66   65   65   63                                       
CONECT   65   64   64                                                 
CONECT   66   67   64  131                                            
CONECT   67   68   66  132  133                                       
CONECT   68   69   67  134  135                                       
CONECT   69   70   68  136  137                                       
CONECT   70   71   69  138  139                                       
CONECT   71   72   70                                                 
CONECT   72   73   73   74   71                                       
CONECT   73   77   72   72  140                                       
CONECT   74   75   75   72  141                                       
CONECT   75   76   74   74  142                                       
CONECT   76   77   77   75  143                                       
CONECT   77   78   76   76   73                                       
CONECT   78   79   77  144  145                                       
CONECT   79   80   78  146                                            
CONECT   80   82   81   81   79                                       
CONECT   81   80   80                                                 
CONECT   82   91   91   83   80                                       
CONECT   83   84   84   82  147                                       
CONECT   84   85   83   83  148                                       
CONECT   85   86   90   90   84                                       
CONECT   86   88   88   89   87                                       
CONECT   86   87   85                                                 
CONECT   87   86   86                                                 
CONECT   88   86   86                                                 
CONECT   89   86  149  150                                            
CONECT   90   85   85   91  151                                       
CONECT   91   90   82   82  152                                       
CONECT   92    1  153                                                 
CONECT   93    1    1                                                 
CONECT   94   23   95  154  155                                       
CONECT   95   96   94  156  157                                       
CONECT   96   97   95  158  159                                       
CONECT   97   96  160  161                                            
CONECT   98    2                                                      
CONECT   99    2                                                      
CONECT  100    5                                                      
CONECT  101    9                                                      
CONECT  102   13                                                      
CONECT  103   14                                                      
CONECT  104   15                                                      
CONECT  105   17                                                      
CONECT  106   21                                                      
CONECT  107   27                                                      
CONECT  108   28                                                      
CONECT  109   29                                                      
CONECT  110   31                                                      
CONECT  111   35                                                      
CONECT  112   37                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   45                                                      
CONECT  117   49                                                      
CONECT  118   52                                                      
CONECT  119   52                                                      
CONECT  120   53                                                      
CONECT  121   54                                                      
CONECT  122   54                                                      
CONECT  123   54                                                      
CONECT  124   55                                                      
CONECT  125   55                                                      
CONECT  126   55                                                      
CONECT  127   59                                                      
CONECT  128   60                                                      
CONECT  129   61                                                      
CONECT  130   63                                                      
CONECT  131   66                                                      
CONECT  132   67                                                      
CONECT  133   67                                                      
CONECT  134   68                                                      
CONECT  135   68                                                      
CONECT  136   69                                                      
CONECT  137   69                                                      
CONECT  138   70                                                      
CONECT  139   70                                                      
CONECT  140   73                                                      
CONECT  141   74                                                      
CONECT  142   75                                                      
CONECT  143   76                                                      
CONECT  144   78                                                      
CONECT  145   78                                                      
CONECT  146   79                                                      
CONECT  147   83                                                      
CONECT  148   84                                                      
CONECT  149   89                                                      
CONECT  150   89                                                      
CONECT  151   90                                                      
CONECT  152   91                                                      
CONECT  153   92                                                      
CONECT  154   94                                                      
CONECT  155   94                                                      
CONECT  156   95                                                      
CONECT  157   95                                                      
CONECT  158   96                                                      
CONECT  159   96                                                      
CONECT  160   97                                                      
CONECT  161   97                                                      
MASTER        0    0    0    0    0    0    0    0  161    0  161    0
END
