COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.121   0.619  -0.551  1.00  0.00           N  
HETATM    2  C   UNL     1      12.845  -1.793   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1      11.797  -0.681   0.341  1.00  0.00           C  
HETATM    4  C   UNL     1      16.637  -1.773   0.928  1.00  0.00           C  
HETATM    5  C   UNL     1      15.265  -2.339   0.558  1.00  0.00           C  
HETATM    6  C   UNL     1      14.217  -1.227   0.635  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.414  -0.507  -1.959  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.005  -0.361  -0.826  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.485  -1.273   0.272  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.474  -2.288  -0.304  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.962  -3.215   0.812  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.951  -4.230   0.236  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.439  -5.157   1.352  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.414  -6.156   0.784  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.957  -7.366   0.295  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.852  -8.282  -0.226  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.202  -7.990  -0.256  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.659  -6.781   0.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.765  -5.866   0.759  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.654   1.506  -1.619  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.648   2.655  -1.798  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.673   3.453  -0.613  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.575   4.560  -0.676  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.341   5.477   0.527  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.980   5.913   0.539  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.643   4.705   1.815  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.498   5.575   2.940  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.080   4.177   1.757  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.990   5.277   1.699  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.246   3.309   0.506  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.695   2.828   0.409  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.823   1.925  -0.692  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.920   4.080  -0.653  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.282   2.072  -1.249  1.00  0.00           C  
HETATM   35  O   UNL     1       0.116   3.035  -2.227  1.00  0.00           O  
HETATM   36  C   UNL     1       0.743   0.937  -1.204  1.00  0.00           C  
HETATM   37  O   UNL     1       0.345  -0.026  -0.226  1.00  0.00           O  
HETATM   38  C   UNL     1       2.115   1.503  -0.834  1.00  0.00           C  
HETATM   39  C   UNL     1       3.163   0.391  -0.910  1.00  0.00           C  
HETATM   40  C   UNL     1       4.536   0.957  -0.540  1.00  0.00           C  
HETATM   41  C   UNL     1       5.584  -0.155  -0.617  1.00  0.00           C  
HETATM   42  C   UNL     1       6.956   0.411  -0.246  1.00  0.00           C  
HETATM   43  C   UNL     1       8.004  -0.701  -0.323  1.00  0.00           C  
HETATM   44  C   UNL     1       9.376  -0.135   0.047  1.00  0.00           C  
HETATM   45  C   UNL     1      10.424  -1.247  -0.029  1.00  0.00           C  
HETATM   46  C   UNL     1      17.685  -2.885   0.852  1.00  0.00           C  
HETATM   47  H   UNL     1      -1.796   0.738   0.355  1.00  0.00           H  
HETATM   48  H   UNL     1      12.581  -2.590   0.960  1.00  0.00           H  
HETATM   49  H   UNL     1      12.878  -2.192  -0.749  1.00  0.00           H  
HETATM   50  H   UNL     1      11.764  -0.282   1.355  1.00  0.00           H  
HETATM   51  H   UNL     1      12.061   0.116  -0.354  1.00  0.00           H  
HETATM   52  H   UNL     1      16.902  -0.976   0.233  1.00  0.00           H  
HETATM   53  H   UNL     1      16.604  -1.374   1.942  1.00  0.00           H  
HETATM   54  H   UNL     1      15.298  -2.738  -0.456  1.00  0.00           H  
HETATM   55  H   UNL     1      15.001  -3.136   1.253  1.00  0.00           H  
HETATM   56  H   UNL     1      14.481  -0.430  -0.061  1.00  0.00           H  
HETATM   57  H   UNL     1      14.184  -0.828   1.649  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.634  -1.801   0.704  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.977  -0.684   1.045  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.325  -1.761  -0.736  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.982  -2.878  -1.077  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.111  -3.742   1.244  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.454  -2.625   1.585  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.802  -3.703  -0.196  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.459  -4.819  -0.537  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.588  -5.684   1.783  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.931  -4.567   2.125  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.902  -7.594   0.318  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.495  -9.227  -0.609  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.901  -8.706  -0.663  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.714  -6.552   0.210  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.122  -4.923   1.145  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.576   0.945  -2.550  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.343   3.271  -2.644  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.643   2.250  -1.984  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.403   5.117  -1.597  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.000   6.343   0.458  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.718   6.406  -0.250  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.949   3.869   1.910  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.613   5.951   3.034  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.285   3.580   2.645  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.936   5.872   2.460  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.580   2.449   0.570  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.971   2.317   1.331  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.352   3.683   0.255  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.718   1.579  -0.814  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.338   2.550  -0.271  1.00  0.00           H  
HETATM   88  H   UNL     1       0.114   2.698  -3.134  1.00  0.00           H  
HETATM   89  H   UNL     1       0.799   0.459  -2.182  1.00  0.00           H  
HETATM   90  H   UNL     1       0.274   0.331   0.671  1.00  0.00           H  
HETATM   91  H   UNL     1       2.379   2.300  -1.529  1.00  0.00           H  
HETATM   92  H   UNL     1       2.082   1.902   0.180  1.00  0.00           H  
HETATM   93  H   UNL     1       2.899  -0.406  -0.215  1.00  0.00           H  
HETATM   94  H   UNL     1       3.196  -0.008  -1.924  1.00  0.00           H  
HETATM   95  H   UNL     1       4.800   1.754  -1.235  1.00  0.00           H  
HETATM   96  H   UNL     1       4.503   1.356   0.474  1.00  0.00           H  
HETATM   97  H   UNL     1       5.320  -0.952   0.079  1.00  0.00           H  
HETATM   98  H   UNL     1       5.617  -0.554  -1.630  1.00  0.00           H  
HETATM   99  H   UNL     1       7.220   1.208  -0.942  1.00  0.00           H  
HETATM  100  H   UNL     1       6.923   0.810   0.768  1.00  0.00           H  
HETATM  101  H   UNL     1       7.740  -1.498   0.373  1.00  0.00           H  
HETATM  102  H   UNL     1       8.037  -1.100  -1.337  1.00  0.00           H  
HETATM  103  H   UNL     1       9.641   0.662  -0.648  1.00  0.00           H  
HETATM  104  H   UNL     1       9.343   0.264   1.061  1.00  0.00           H  
HETATM  105  H   UNL     1      10.457  -1.646  -1.043  1.00  0.00           H  
HETATM  106  H   UNL     1      10.160  -2.044   0.666  1.00  0.00           H  
HETATM  107  H   UNL     1      17.421  -3.682   1.547  1.00  0.00           H  
HETATM  108  H   UNL     1      17.718  -3.284  -0.162  1.00  0.00           H  
HETATM  109  H   UNL     1      18.663  -2.482   1.116  1.00  0.00           H  
CONECT    1    8   20   47                                            
CONECT    2    3    6   48   49                                       
CONECT    3    2   45   50   51                                       
CONECT    4    5   46   52   53                                       
CONECT    5    4    6   54   55                                       
CONECT    6    2    5   56   57                                       
CONECT    7    8    8                                                 
CONECT    8    1    7    7    9                                       
CONECT    9    8   10   58   59                                       
CONECT   10    9   11   60   61                                       
CONECT   11   10   12   62   63                                       
CONECT   12   11   13   64   65                                       
CONECT   13   12   14   66   67                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   68                                       
CONECT   16   15   17   17   69                                       
CONECT   17   16   16   18   70                                       
CONECT   18   17   19   19   71                                       
CONECT   19   14   18   18   72                                       
CONECT   20    1   21   34   73                                       
CONECT   21   20   22   74   75                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   33   76                                       
CONECT   24   23   25   26   77                                       
CONECT   25   24   78                                                 
CONECT   26   24   27   28   79                                       
CONECT   27   26   80                                                 
CONECT   28   26   29   30   81                                       
CONECT   29   28   82                                                 
CONECT   30   28   31   33   83                                       
CONECT   31   30   32   84   85                                       
CONECT   32   31   86                                                 
CONECT   33   23   30                                                 
CONECT   34   20   35   36   87                                       
CONECT   35   34   88                                                 
CONECT   36   34   37   38   89                                       
CONECT   37   36   90                                                 
CONECT   38   36   39   91   92                                       
CONECT   39   38   40   93   94                                       
CONECT   40   39   41   95   96                                       
CONECT   41   40   42   97   98                                       
CONECT   42   41   43   99  100                                       
CONECT   43   42   44  101  102                                       
CONECT   44   43   45  103  104                                       
CONECT   45    3   44  105  106                                       
CONECT   46    4  107  108  109                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   43                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   45                                                      
CONECT  107   46                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
