COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -17.612   2.442  -1.647  1.00  0.00           N  
HETATM    2  N   UNL     1     -17.911   4.382  -2.924  1.00  0.00           N  
HETATM    3  C   UNL     1     -17.655   3.696  -4.057  1.00  0.00           C  
HETATM    4  C   UNL     1     -17.359   2.314  -3.981  1.00  0.00           C  
HETATM    5  C   UNL     1     -17.342   1.711  -2.773  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.284   0.609  -1.755  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.413   0.115  -0.655  1.00  0.00           C  
HETATM    8  C   UNL     1       0.579  -0.910  -0.168  1.00  0.00           C  
HETATM    9  C   UNL     1       1.640  -1.145  -1.245  1.00  0.00           C  
HETATM   10  N   UNL     1       2.604  -2.141  -0.772  1.00  0.00           N  
HETATM   11  C   UNL     1       3.635  -2.509  -1.559  1.00  0.00           C  
HETATM   12  O   UNL     1       3.712  -2.086  -2.693  1.00  0.00           O  
HETATM   13  C   UNL     1       4.691  -3.444  -1.030  1.00  0.00           C  
HETATM   14  O   UNL     1       4.277  -3.962   0.236  1.00  0.00           O  
HETATM   15  C   UNL     1       6.009  -2.685  -0.864  1.00  0.00           C  
HETATM   16  C   UNL     1       6.527  -2.257  -2.239  1.00  0.00           C  
HETATM   17  C   UNL     1       5.778  -1.446   0.002  1.00  0.00           C  
HETATM   18  C   UNL     1       7.039  -3.593  -0.191  1.00  0.00           C  
HETATM   19  O   UNL     1       8.270  -2.884  -0.036  1.00  0.00           O  
HETATM   20  P   UNL     1       9.579  -3.536   0.638  1.00  0.00           P  
HETATM   21  O   UNL     1       9.923  -4.791  -0.067  1.00  0.00           O  
HETATM   22  O   UNL     1       9.283  -3.855   2.188  1.00  0.00           O  
HETATM   23  O   UNL     1      10.810  -2.504   0.528  1.00  0.00           O  
HETATM   24  P   UNL     1      12.410  -2.659   0.612  1.00  0.00           P  
HETATM   25  O   UNL     1      12.849  -2.877   2.145  1.00  0.00           O  
HETATM   26  O   UNL     1      12.836  -3.825  -0.194  1.00  0.00           O  
HETATM   27  O   UNL     1      13.109  -1.327   0.038  1.00  0.00           O  
HETATM   28  C   UNL     1      14.523  -1.195  -0.118  1.00  0.00           C  
HETATM   29  C   UNL     1      14.848   0.189  -0.684  1.00  0.00           C  
HETATM   30  C   UNL     1      16.359   0.308  -0.979  1.00  0.00           C  
HETATM   31  O   UNL     1      16.618   0.080  -2.366  1.00  0.00           O  
HETATM   32  P   UNL     1      17.569  -1.106  -2.896  1.00  0.00           P  
HETATM   33  O   UNL     1      18.896  -1.001  -2.251  1.00  0.00           O  
HETATM   34  O   UNL     1      16.907  -2.528  -2.532  1.00  0.00           O  
HETATM   35  O   UNL     1      17.737  -0.986  -4.493  1.00  0.00           O  
HETATM   36  C   UNL     1      16.702   1.766  -0.597  1.00  0.00           C  
HETATM   37  O   UNL     1      17.183   2.482  -1.737  1.00  0.00           O  
HETATM   38  O   UNL     1      14.582   1.210   0.303  1.00  0.00           O  
HETATM   39  C   UNL     1      15.357   2.354  -0.117  1.00  0.00           C  
HETATM   40  N   UNL     1      15.572   3.265   1.010  1.00  0.00           N  
HETATM   41  C   UNL     1      15.844   4.607   0.929  1.00  0.00           C  
HETATM   42  N   UNL     1      15.995   5.476  -0.065  1.00  0.00           N  
HETATM   43  C   UNL     1      16.260   6.741   0.183  1.00  0.00           C  
HETATM   44  C   UNL     1      15.534   2.935   2.333  1.00  0.00           C  
HETATM   45  N   UNL     1      15.770   3.988   3.061  1.00  0.00           N  
HETATM   46  C   UNL     1      15.971   5.058   2.254  1.00  0.00           C  
HETATM   47  C   UNL     1      16.254   6.417   2.468  1.00  0.00           C  
HETATM   48  N   UNL     1      16.391   6.918   3.751  1.00  0.00           N  
HETATM   49  N   UNL     1      16.389   7.210   1.411  1.00  0.00           N  
HETATM   50  N   UNL     1      -1.443   0.483   0.132  1.00  0.00           N  
HETATM   51  C   UNL     1      -2.407   1.479  -0.341  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.468   1.714   0.736  1.00  0.00           C  
HETATM   53  S   UNL     1      -4.662   2.947   0.150  1.00  0.00           S  
HETATM   54  C   UNL     1      -5.734   3.196   1.592  1.00  0.00           C  
HETATM   55  O   UNL     1      -5.102   2.654   2.754  1.00  0.00           O  
HETATM   56  C   UNL     1      -5.977   4.692   1.795  1.00  0.00           C  
HETATM   57  N   UNL     1      -7.017   2.516   1.371  1.00  0.00           N  
HETATM   58  C   UNL     1      -6.814   1.094   1.064  1.00  0.00           C  
HETATM   59  C   UNL     1      -7.346   0.240   2.219  1.00  0.00           C  
HETATM   60  O   UNL     1      -6.596   0.518   3.403  1.00  0.00           O  
HETATM   61  C   UNL     1      -7.572   0.734  -0.217  1.00  0.00           C  
HETATM   62  C   UNL     1      -7.006   1.540  -1.388  1.00  0.00           C  
HETATM   63  O   UNL     1      -7.420  -0.662  -0.482  1.00  0.00           O  
HETATM   64  C   UNL     1      -7.942  -1.510   0.542  1.00  0.00           C  
HETATM   65  C   UNL     1      -7.200  -1.240   1.854  1.00  0.00           C  
HETATM   66  N   UNL     1      -7.773  -2.066   2.919  1.00  0.00           N  
HETATM   67  C   UNL     1      -7.349  -3.334   3.091  1.00  0.00           C  
HETATM   68  C   UNL     1      -7.939  -4.184   4.187  1.00  0.00           C  
HETATM   69  O   UNL     1      -6.493  -3.791   2.363  1.00  0.00           O  
HETATM   70  O   UNL     1      -9.335  -1.242   0.719  1.00  0.00           O  
HETATM   71  P   UNL     1     -10.487  -2.014  -0.099  1.00  0.00           P  
HETATM   72  O   UNL     1     -10.365  -1.656  -1.664  1.00  0.00           O  
HETATM   73  O   UNL     1     -10.331  -3.474   0.087  1.00  0.00           O  
HETATM   74  O   UNL     1     -11.931  -1.555   0.445  1.00  0.00           O  
HETATM   75  P   UNL     1     -13.408  -2.192   0.373  1.00  0.00           P  
HETATM   76  O   UNL     1     -13.625  -2.783  -0.967  1.00  0.00           O  
HETATM   77  O   UNL     1     -13.553  -3.338   1.494  1.00  0.00           O  
HETATM   78  O   UNL     1     -14.502  -1.041   0.636  1.00  0.00           O  
HETATM   79  C   UNL     1     -15.909  -1.267   0.535  1.00  0.00           C  
HETATM   80  C   UNL     1     -16.658   0.030   0.846  1.00  0.00           C  
HETATM   81  C   UNL     1     -18.177  -0.229   0.845  1.00  0.00           C  
HETATM   82  O   UNL     1     -18.738   0.081   2.122  1.00  0.00           O  
HETATM   83  C   UNL     1     -18.726   0.735  -0.236  1.00  0.00           C  
HETATM   84  O   UNL     1     -19.948   1.339   0.193  1.00  0.00           O  
HETATM   85  C   UNL     1     -17.593   1.788  -0.336  1.00  0.00           C  
HETATM   86  O   UNL     1     -16.390   1.006  -0.175  1.00  0.00           O  
HETATM   87  C   UNL     1     -17.888   3.756  -1.733  1.00  0.00           C  
HETATM   88  O   UNL     1     -18.120   4.387  -0.720  1.00  0.00           O  
HETATM   89  O   UNL     1     -17.676   4.261  -5.135  1.00  0.00           O  
HETATM   90  H   UNL     1     -18.111   5.330  -2.968  1.00  0.00           H  
HETATM   91  H   UNL     1     -17.148   1.749  -4.877  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.117   0.658  -2.695  1.00  0.00           H  
HETATM   93  H   UNL     1       1.058  -0.548   0.742  1.00  0.00           H  
HETATM   94  H   UNL     1       0.061  -1.846   0.042  1.00  0.00           H  
HETATM   95  H   UNL     1       1.161  -1.506  -2.155  1.00  0.00           H  
HETATM   96  H   UNL     1       2.158  -0.209  -1.455  1.00  0.00           H  
HETATM   97  H   UNL     1       2.501  -2.536   0.108  1.00  0.00           H  
HETATM   98  H   UNL     1       4.831  -4.267  -1.730  1.00  0.00           H  
HETATM   99  H   UNL     1       4.133  -3.284   0.911  1.00  0.00           H  
HETATM  100  H   UNL     1       5.825  -1.556  -2.690  1.00  0.00           H  
HETATM  101  H   UNL     1       7.499  -1.777  -2.127  1.00  0.00           H  
HETATM  102  H   UNL     1       6.626  -3.134  -2.878  1.00  0.00           H  
HETATM  103  H   UNL     1       5.043  -0.798  -0.478  1.00  0.00           H  
HETATM  104  H   UNL     1       5.408  -1.750   0.982  1.00  0.00           H  
HETATM  105  H   UNL     1       6.716  -0.905   0.120  1.00  0.00           H  
HETATM  106  H   UNL     1       6.670  -3.898   0.789  1.00  0.00           H  
HETATM  107  H   UNL     1       7.204  -4.477  -0.808  1.00  0.00           H  
HETATM  108  H   UNL     1       9.050  -3.076   2.712  1.00  0.00           H  
HETATM  109  H   UNL     1      12.601  -2.150   2.733  1.00  0.00           H  
HETATM  110  H   UNL     1      15.009  -1.315   0.850  1.00  0.00           H  
HETATM  111  H   UNL     1      14.886  -1.962  -0.803  1.00  0.00           H  
HETATM  112  H   UNL     1      14.269   0.375  -1.588  1.00  0.00           H  
HETATM  113  H   UNL     1      16.925  -0.391  -0.363  1.00  0.00           H  
HETATM  114  H   UNL     1      16.033  -2.666  -2.922  1.00  0.00           H  
HETATM  115  H   UNL     1      18.299  -1.670  -4.882  1.00  0.00           H  
HETATM  116  H   UNL     1      17.439   1.787   0.205  1.00  0.00           H  
HETATM  117  H   UNL     1      17.414   3.403  -1.554  1.00  0.00           H  
HETATM  118  H   UNL     1      14.856   2.873  -0.934  1.00  0.00           H  
HETATM  119  H   UNL     1      16.378   7.420  -0.648  1.00  0.00           H  
HETATM  120  H   UNL     1      15.336   1.946   2.719  1.00  0.00           H  
HETATM  121  H   UNL     1      16.290   6.330   4.515  1.00  0.00           H  
HETATM  122  H   UNL     1      16.587   7.859   3.886  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.546   0.088   1.012  1.00  0.00           H  
HETATM  124  H   UNL     1      -1.889   2.415  -0.551  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.887   1.117  -1.251  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.986   0.778   0.946  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.989   2.076   1.645  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.927   1.705   2.699  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.459   5.106   0.909  1.00  0.00           H  
HETATM  130  H   UNL     1      -6.622   4.841   2.662  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.025   5.196   1.959  1.00  0.00           H  
HETATM  132  H   UNL     1      -7.547   2.971   0.642  1.00  0.00           H  
HETATM  133  H   UNL     1      -5.751   0.900   0.925  1.00  0.00           H  
HETATM  134  H   UNL     1      -8.397   0.471   2.390  1.00  0.00           H  
HETATM  135  H   UNL     1      -6.880   0.011   4.176  1.00  0.00           H  
HETATM  136  H   UNL     1      -8.629   0.968  -0.092  1.00  0.00           H  
HETATM  137  H   UNL     1      -5.968   1.253  -1.560  1.00  0.00           H  
HETATM  138  H   UNL     1      -7.592   1.339  -2.285  1.00  0.00           H  
HETATM  139  H   UNL     1      -7.054   2.604  -1.154  1.00  0.00           H  
HETATM  140  H   UNL     1      -7.806  -2.553   0.255  1.00  0.00           H  
HETATM  141  H   UNL     1      -6.144  -1.483   1.731  1.00  0.00           H  
HETATM  142  H   UNL     1      -8.457  -1.701   3.501  1.00  0.00           H  
HETATM  143  H   UNL     1      -8.807  -4.719   3.805  1.00  0.00           H  
HETATM  144  H   UNL     1      -7.193  -4.900   4.532  1.00  0.00           H  
HETATM  145  H   UNL     1      -8.241  -3.546   5.018  1.00  0.00           H  
HETATM  146  H   UNL     1     -10.457  -0.714  -1.861  1.00  0.00           H  
HETATM  147  H   UNL     1     -13.423  -3.021   2.399  1.00  0.00           H  
HETATM  148  H   UNL     1     -16.153  -1.594  -0.476  1.00  0.00           H  
HETATM  149  H   UNL     1     -16.205  -2.038   1.247  1.00  0.00           H  
HETATM  150  H   UNL     1     -16.346   0.414   1.817  1.00  0.00           H  
HETATM  151  H   UNL     1     -18.388  -1.264   0.578  1.00  0.00           H  
HETATM  152  H   UNL     1     -19.693  -0.064   2.178  1.00  0.00           H  
HETATM  153  H   UNL     1     -18.862   0.217  -1.185  1.00  0.00           H  
HETATM  154  H   UNL     1     -20.662   0.708   0.357  1.00  0.00           H  
HETATM  155  H   UNL     1     -17.684   2.526   0.461  1.00  0.00           H  
CONECT    1    5   85   87                                            
CONECT    2    3   87   90                                            
CONECT    3    4   89   89    2                                       
CONECT    4    5    5    3   91                                       
CONECT    5    4    4    1   92                                       
CONECT    6    7    7                                                 
CONECT    7    8    6    6   50                                       
CONECT    8    9    7   93   94                                       
CONECT    9   10    8   95   96                                       
CONECT   10   11    9   97                                            
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   15   14   11   98                                       
CONECT   14   13   99                                                 
CONECT   15   18   17   16   13                                       
CONECT   16   15  100  101  102                                       
CONECT   17   15  103  104  105                                       
CONECT   18   19   15  106  107                                       
CONECT   19   20   18                                                 
CONECT   20   21   21   23   22                                       
CONECT   20   19                                                      
CONECT   21   20   20                                                 
CONECT   22   20  108                                                 
CONECT   23   24   20                                                 
CONECT   24   27   26   26   23                                       
CONECT   24   25                                                      
CONECT   25   24  109                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24                                                 
CONECT   28   29   27  110  111                                       
CONECT   29   30   38   28  112                                       
CONECT   30   31   29   36  113                                       
CONECT   31   32   30                                                 
CONECT   32   33   33   34   35                                       
CONECT   32   31                                                      
CONECT   33   32   32                                                 
CONECT   34   32  114                                                 
CONECT   35   32  115                                                 
CONECT   36   30   39   37  116                                       
CONECT   37   36  117                                                 
CONECT   38   29   39                                                 
CONECT   39   38   36   40  118                                       
CONECT   40   39   41   44                                            
CONECT   41   42   42   40   46                                       
CONECT   42   41   41   43                                            
CONECT   43   42   49   49  119                                       
CONECT   44   40   45   45  120                                       
CONECT   45   44   44   46                                            
CONECT   46   41   45   47   47                                       
CONECT   47   46   46   49   48                                       
CONECT   48   47  121  122                                            
CONECT   49   43   43   47                                            
CONECT   50    7   51  123                                            
CONECT   51   50   52  124  125                                       
CONECT   52   51   53  126  127                                       
CONECT   53   52   54                                                 
CONECT   54   55   53   57   56                                       
CONECT   55   54  128                                                 
CONECT   56   54  129  130  131                                       
CONECT   57   58   54  132                                            
CONECT   58   59   57   61  133                                       
CONECT   59   65   60   58  134                                       
CONECT   60   59  135                                                 
CONECT   61   58   63   62  136                                       
CONECT   62   61  137  138  139                                       
CONECT   63   64   61                                                 
CONECT   64   65   63   70  140                                       
CONECT   65   66   64   59  141                                       
CONECT   66   67   65  142                                            
CONECT   67   69   69   68   66                                       
CONECT   68   67  143  144  145                                       
CONECT   69   67   67                                                 
CONECT   70   64   71                                                 
CONECT   71   74   70   73   73                                       
CONECT   71   72                                                      
CONECT   72   71  146                                                 
CONECT   73   71   71                                                 
CONECT   74   75   71                                                 
CONECT   75   76   76   77   74                                       
CONECT   75   78                                                      
CONECT   76   75   75                                                 
CONECT   77   75  147                                                 
CONECT   78   75   79                                                 
CONECT   79   78   80  148  149                                       
CONECT   80   79   81   86  150                                       
CONECT   81   83   80   82  151                                       
CONECT   82   81  152                                                 
CONECT   83   81   84   85  153                                       
CONECT   84   83  154                                                 
CONECT   85   83   86    1  155                                       
CONECT   86   80   85                                                 
CONECT   87    1    2   88   88                                       
CONECT   88   87   87                                                 
CONECT   89    3    3                                                 
CONECT   90    2                                                      
CONECT   91    4                                                      
CONECT   92    5                                                      
CONECT   93    8                                                      
CONECT   94    8                                                      
CONECT   95    9                                                      
CONECT   96    9                                                      
CONECT   97   10                                                      
CONECT   98   13                                                      
CONECT   99   14                                                      
CONECT  100   16                                                      
CONECT  101   16                                                      
CONECT  102   16                                                      
CONECT  103   17                                                      
CONECT  104   17                                                      
CONECT  105   17                                                      
CONECT  106   18                                                      
CONECT  107   18                                                      
CONECT  108   22                                                      
CONECT  109   25                                                      
CONECT  110   28                                                      
CONECT  111   28                                                      
CONECT  112   29                                                      
CONECT  113   30                                                      
CONECT  114   34                                                      
CONECT  115   35                                                      
CONECT  116   36                                                      
CONECT  117   37                                                      
CONECT  118   39                                                      
CONECT  119   43                                                      
CONECT  120   44                                                      
CONECT  121   48                                                      
CONECT  122   48                                                      
CONECT  123   50                                                      
CONECT  124   51                                                      
CONECT  125   51                                                      
CONECT  126   52                                                      
CONECT  127   52                                                      
CONECT  128   55                                                      
CONECT  129   56                                                      
CONECT  130   56                                                      
CONECT  131   56                                                      
CONECT  132   57                                                      
CONECT  133   58                                                      
CONECT  134   59                                                      
CONECT  135   60                                                      
CONECT  136   61                                                      
CONECT  137   62                                                      
CONECT  138   62                                                      
CONECT  139   62                                                      
CONECT  140   64                                                      
CONECT  141   65                                                      
CONECT  142   66                                                      
CONECT  143   68                                                      
CONECT  144   68                                                      
CONECT  145   68                                                      
CONECT  146   72                                                      
CONECT  147   77                                                      
CONECT  148   79                                                      
CONECT  149   79                                                      
CONECT  150   80                                                      
CONECT  151   81                                                      
CONECT  152   82                                                      
CONECT  153   83                                                      
CONECT  154   84                                                      
CONECT  155   85                                                      
MASTER        0    0    0    0    0    0    0    0  155    0  155    0
END
