COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.746  -1.788  -0.562  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.570  -0.676  -0.464  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.857  -2.221   0.226  1.00  0.00           O  
HETATM    4  O   UNL     1      -9.643   8.837  -0.609  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.720  -1.099   0.340  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.360   0.125   0.998  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.511   5.556   0.490  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.204   6.685   1.257  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.266   7.326   0.358  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.597   7.823  -0.928  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.888   6.650  -1.611  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.168   7.150  -2.865  1.00  0.00           C  
HETATM   13  O   UNL     1     -10.828   6.153   2.428  1.00  0.00           O  
HETATM   14  O   UNL     1     -11.868   8.428   1.040  1.00  0.00           O  
HETATM   15  O   UNL     1      -8.937   6.080  -0.710  1.00  0.00           O  
HETATM   16  O   UNL     1      -8.604   6.039  -3.565  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.923   3.072  -0.666  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.643   4.306  -0.114  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.843   3.850   0.723  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.356   2.916   1.834  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.556   2.409   2.637  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.510   2.168   0.498  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.886   0.988  -0.013  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.760   3.482  -1.388  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.097   5.119  -1.197  1.00  0.00           O  
HETATM   26  O   UNL     1      -8.481   4.990   1.303  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.668   1.806   1.253  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.094   1.632   3.743  1.00  0.00           O  
HETATM   29  C   UNL     1       1.407 -19.159   0.421  1.00  0.00           C  
HETATM   30  C   UNL     1       0.760 -17.949   1.097  1.00  0.00           C  
HETATM   31  C   UNL     1       0.503 -16.859   0.055  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.144 -15.649   0.731  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.401 -14.559  -0.312  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.048 -13.349   0.364  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.305 -12.259  -0.678  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.952 -11.048  -0.002  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.209  -9.958  -1.045  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.856  -8.748  -0.368  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.113  -7.658  -1.411  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.760  -6.448  -0.735  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.017  -5.358  -1.777  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.654  -4.166  -1.111  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.108  -2.981  -1.228  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.364  -0.518   0.117  1.00  0.00           C  
HETATM   45  O   UNL     1      -1.230  -0.726   1.304  1.00  0.00           O  
HETATM   46  C   UNL     1      -0.181  -0.083  -0.710  1.00  0.00           C  
HETATM   47  C   UNL     1       1.056   0.019   0.185  1.00  0.00           C  
HETATM   48  C   UNL     1       2.257   0.461  -0.654  1.00  0.00           C  
HETATM   49  C   UNL     1       3.494   0.563   0.240  1.00  0.00           C  
HETATM   50  C   UNL     1       4.695   1.004  -0.599  1.00  0.00           C  
HETATM   51  C   UNL     1       5.932   1.106   0.295  1.00  0.00           C  
HETATM   52  C   UNL     1       7.133   1.548  -0.544  1.00  0.00           C  
HETATM   53  C   UNL     1       8.370   1.650   0.351  1.00  0.00           C  
HETATM   54  C   UNL     1       9.571   2.092  -0.488  1.00  0.00           C  
HETATM   55  C   UNL     1      10.808   2.194   0.406  1.00  0.00           C  
HETATM   56  C   UNL     1      12.009   2.635  -0.433  1.00  0.00           C  
HETATM   57  C   UNL     1      13.246   2.737   0.461  1.00  0.00           C  
HETATM   58  C   UNL     1      14.447   3.179  -0.378  1.00  0.00           C  
HETATM   59  C   UNL     1      15.684   3.281   0.517  1.00  0.00           C  
HETATM   60  C   UNL     1      16.885   3.723  -0.322  1.00  0.00           C  
HETATM   61  C   UNL     1      18.122   3.825   0.572  1.00  0.00           C  
HETATM   62  C   UNL     1      19.323   4.266  -0.267  1.00  0.00           C  
HETATM   63  C   UNL     1      20.560   4.369   0.627  1.00  0.00           C  
HETATM   64  C   UNL     1      21.761   4.810  -0.212  1.00  0.00           C  
HETATM   65  C   UNL     1      22.998   4.912   0.683  1.00  0.00           C  
HETATM   66  C   UNL     1      24.199   5.354  -0.156  1.00  0.00           C  
HETATM   67  H   UNL     1      -5.090  -1.088  -1.323  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.676  -0.510  -1.413  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.614  -2.781   0.975  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.023   9.610  -0.168  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.388  -1.794   1.111  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.166  -0.197   1.657  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.608   0.661   1.577  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.240   4.786   0.238  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.469   7.436   1.545  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.028   6.588   0.111  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.354   8.232  -1.597  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.623   5.895  -1.890  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.878   7.665  -3.511  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.373   7.839  -2.577  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.215   5.727   3.041  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.305   8.187   1.868  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.131   6.282  -4.372  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.592   2.526  -1.331  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.959   4.878   0.512  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.551   3.320   0.086  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.679   3.459   2.494  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.131   3.259   3.005  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.186   1.792   1.997  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.808   2.701   1.141  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.253   2.750  -1.767  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.389   5.438  -1.773  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.802   1.278   4.298  1.00  0.00           H  
HETATM   94  H   UNL     1       1.590 -19.936   1.164  1.00  0.00           H  
HETATM   95  H   UNL     1       0.740 -19.544  -0.350  1.00  0.00           H  
HETATM   96  H   UNL     1       2.352 -18.860  -0.032  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.186 -18.248   1.550  1.00  0.00           H  
HETATM   98  H   UNL     1       1.426 -17.564   1.869  1.00  0.00           H  
HETATM   99  H   UNL     1       1.448 -16.560  -0.398  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.164 -17.244  -0.717  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.089 -15.948   1.184  1.00  0.00           H  
HETATM  102  H   UNL     1       0.523 -15.264   1.502  1.00  0.00           H  
HETATM  103  H   UNL     1       0.544 -14.260  -0.765  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.068 -14.944  -1.083  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.993 -13.648   0.818  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.381 -12.964   1.136  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.360 -11.959  -1.131  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.972 -12.644  -1.450  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.897 -11.347   0.451  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.285 -10.663   0.769  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.264  -9.659  -1.498  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.876 -10.343  -1.816  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.801  -9.047   0.085  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.189  -8.363   0.403  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.168  -7.359  -1.864  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.780  -8.043  -2.182  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.705  -6.747  -0.282  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.093  -6.063   0.036  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.072  -5.059  -2.231  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.561  -4.288  -0.538  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.201  -2.858  -1.801  1.00  0.00           H  
HETATM  122  H   UNL     1       0.000  -0.814  -1.498  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.388   0.890  -1.156  1.00  0.00           H  
HETATM  124  H   UNL     1       0.876   0.750   0.973  1.00  0.00           H  
HETATM  125  H   UNL     1       1.263  -0.954   0.631  1.00  0.00           H  
HETATM  126  H   UNL     1       2.438  -0.270  -1.443  1.00  0.00           H  
HETATM  127  H   UNL     1       2.050   1.433  -1.101  1.00  0.00           H  
HETATM  128  H   UNL     1       3.313   1.293   1.028  1.00  0.00           H  
HETATM  129  H   UNL     1       3.701  -0.410   0.687  1.00  0.00           H  
HETATM  130  H   UNL     1       4.876   0.274  -1.387  1.00  0.00           H  
HETATM  131  H   UNL     1       4.488   1.977  -1.046  1.00  0.00           H  
HETATM  132  H   UNL     1       5.752   1.837   1.084  1.00  0.00           H  
HETATM  133  H   UNL     1       7.314   0.817  -1.332  1.00  0.00           H  
HETATM  134  H   UNL     1       8.189   2.381   1.139  1.00  0.00           H  
HETATM  135  H   UNL     1       9.752   1.361  -1.277  1.00  0.00           H  
HETATM  136  H   UNL     1      10.627   2.924   1.194  1.00  0.00           H  
HETATM  137  H   UNL     1      11.015   1.221   0.853  1.00  0.00           H  
HETATM  138  H   UNL     1      12.190   1.905  -1.221  1.00  0.00           H  
HETATM  139  H   UNL     1      11.802   3.608  -0.880  1.00  0.00           H  
HETATM  140  H   UNL     1      13.065   3.468   1.250  1.00  0.00           H  
HETATM  141  H   UNL     1      13.453   1.765   0.908  1.00  0.00           H  
HETATM  142  H   UNL     1      14.628   2.448  -1.166  1.00  0.00           H  
HETATM  143  H   UNL     1      14.240   4.152  -0.824  1.00  0.00           H  
HETATM  144  H   UNL     1      15.503   4.012   1.305  1.00  0.00           H  
HETATM  145  H   UNL     1      15.891   2.309   0.963  1.00  0.00           H  
HETATM  146  H   UNL     1      17.066   2.992  -1.111  1.00  0.00           H  
HETATM  147  H   UNL     1      16.678   4.695  -0.769  1.00  0.00           H  
HETATM  148  H   UNL     1      17.941   4.556   1.360  1.00  0.00           H  
HETATM  149  H   UNL     1      18.329   2.852   1.018  1.00  0.00           H  
HETATM  150  H   UNL     1      19.504   3.536  -1.055  1.00  0.00           H  
HETATM  151  H   UNL     1      19.116   5.239  -0.714  1.00  0.00           H  
HETATM  152  H   UNL     1      20.379   5.099   1.416  1.00  0.00           H  
HETATM  153  H   UNL     1      20.767   3.396   1.074  1.00  0.00           H  
HETATM  154  H   UNL     1      21.942   4.079  -1.000  1.00  0.00           H  
HETATM  155  H   UNL     1      21.554   5.783  -0.658  1.00  0.00           H  
HETATM  156  H   UNL     1      22.817   5.643   1.471  1.00  0.00           H  
HETATM  157  H   UNL     1      23.205   3.940   1.129  1.00  0.00           H  
HETATM  158  H   UNL     1      24.380   4.623  -0.945  1.00  0.00           H  
HETATM  159  H   UNL     1      23.992   6.326  -0.603  1.00  0.00           H  
HETATM  160  H   UNL     1      25.080   5.426   0.481  1.00  0.00           H  
HETATM  161  H   UNL     1       6.139   0.134   0.742  1.00  0.00           H  
HETATM  162  H   UNL     1       6.926   2.521  -0.990  1.00  0.00           H  
HETATM  163  H   UNL     1       8.577   0.678   0.797  1.00  0.00           H  
HETATM  164  H   UNL     1       9.364   3.064  -0.935  1.00  0.00           H  
HETATM  165  H   UNL     1      -4.684  -5.743  -2.549  1.00  0.00           H  
CONECT    1    3    5   43   67                                       
CONECT    2    5   44   68                                            
CONECT    3    1   69                                                 
CONECT    4   10   70                                                 
CONECT    5    1    2    6   71                                       
CONECT    6    5   23   72   73                                       
CONECT    7    8   15   26   74                                       
CONECT    8    7    9   13   75                                       
CONECT    9    8   10   14   76                                       
CONECT   10    4    9   11   77                                       
CONECT   11   10   12   15   78                                       
CONECT   12   11   16   79   80                                       
CONECT   13    8   81                                                 
CONECT   14    9   82                                                 
CONECT   15    7   11                                                 
CONECT   16   12   83                                                 
CONECT   17   18   22   24   84                                       
CONECT   18   17   19   25   85                                       
CONECT   19   18   20   26   86                                       
CONECT   20   19   21   27   87                                       
CONECT   21   20   28   88   89                                       
CONECT   22   17   23   27   90                                       
CONECT   23    6   22                                                 
CONECT   24   17   91                                                 
CONECT   25   18   92                                                 
CONECT   26    7   19                                                 
CONECT   27   20   22                                                 
CONECT   28   21   93                                                 
CONECT   29   30   94   95   96                                       
CONECT   30   29   31   97   98                                       
CONECT   31   30   32   99  100                                       
CONECT   32   31   33  101  102                                       
CONECT   33   32   34  103  104                                       
CONECT   34   33   35  105  106                                       
CONECT   35   34   36  107  108                                       
CONECT   36   35   37  109  110                                       
CONECT   37   36   38  111  112                                       
CONECT   38   37   39  113  114                                       
CONECT   39   38   40  115  116                                       
CONECT   40   39   41  117  118                                       
CONECT   41   40   42  119  165                                       
CONECT   42   41   43   43  120                                       
CONECT   43    1   42   42  121                                       
CONECT   44    2   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47  122  123                                       
CONECT   47   46   48  124  125                                       
CONECT   48   47   49  126  127                                       
CONECT   49   48   50  128  129                                       
CONECT   50   49   51  130  131                                       
CONECT   51   50   52  132  161                                       
CONECT   52   51   53  133  162                                       
CONECT   53   52   54  134  163                                       
CONECT   54   53   55  135  164                                       
CONECT   55   54   56  136  137                                       
CONECT   56   55   57  138  139                                       
CONECT   57   56   58  140  141                                       
CONECT   58   57   59  142  143                                       
CONECT   59   58   60  144  145                                       
CONECT   60   59   61  146  147                                       
CONECT   61   60   62  148  149                                       
CONECT   62   61   63  150  151                                       
CONECT   63   62   64  152  153                                       
CONECT   64   63   65  154  155                                       
CONECT   65   64   66  156  157                                       
CONECT   66   65  158  159  160                                       
CONECT   67    1                                                      
CONECT   68    2                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   10                                                      
CONECT   78   11                                                      
CONECT   79   12                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   14                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   21                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   29                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   33                                                      
CONECT  105   34                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   36                                                      
CONECT  111   37                                                      
CONECT  112   37                                                      
CONECT  113   38                                                      
CONECT  114   38                                                      
CONECT  115   39                                                      
CONECT  116   39                                                      
CONECT  117   40                                                      
CONECT  118   40                                                      
CONECT  119   41                                                      
CONECT  120   42                                                      
CONECT  121   43                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   47                                                      
CONECT  126   48                                                      
CONECT  127   48                                                      
CONECT  128   49                                                      
CONECT  129   49                                                      
CONECT  130   50                                                      
CONECT  131   50                                                      
CONECT  132   51                                                      
CONECT  133   52                                                      
CONECT  134   53                                                      
CONECT  135   54                                                      
CONECT  136   55                                                      
CONECT  137   55                                                      
CONECT  138   56                                                      
CONECT  139   56                                                      
CONECT  140   57                                                      
CONECT  141   57                                                      
CONECT  142   58                                                      
CONECT  143   58                                                      
CONECT  144   59                                                      
CONECT  145   59                                                      
CONECT  146   60                                                      
CONECT  147   60                                                      
CONECT  148   61                                                      
CONECT  149   61                                                      
CONECT  150   62                                                      
CONECT  151   62                                                      
CONECT  152   63                                                      
CONECT  153   63                                                      
CONECT  154   64                                                      
CONECT  155   64                                                      
CONECT  156   65                                                      
CONECT  157   65                                                      
CONECT  158   66                                                      
CONECT  159   66                                                      
CONECT  160   66                                                      
CONECT  161   51                                                      
CONECT  162   52                                                      
CONECT  163   53                                                      
CONECT  164   54                                                      
CONECT  165   41                                                      
MASTER        0    0    0    0    0    0    0    0  165    0  165    0
END
