COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.955  -0.056   0.654  1.00  0.00           N  
HETATM    2  C   UNL     1       7.579   1.678   0.074  1.00  0.00           C  
HETATM    3  C   UNL     1       8.786   2.462   0.592  1.00  0.00           C  
HETATM    4  C   UNL     1       9.153   3.556  -0.412  1.00  0.00           C  
HETATM    5  C   UNL     1      10.433   4.259   0.043  1.00  0.00           C  
HETATM    6  C   UNL     1      10.800   5.353  -0.961  1.00  0.00           C  
HETATM    7  C   UNL     1      12.080   6.056  -0.506  1.00  0.00           C  
HETATM    8  C   UNL     1      12.447   7.150  -1.510  1.00  0.00           C  
HETATM    9  C   UNL     1       8.269  -0.327   1.397  1.00  0.00           C  
HETATM   10  C   UNL     1     -23.953  -0.202  -0.710  1.00  0.00           C  
HETATM   11  C   UNL     1     -22.720   0.553  -0.209  1.00  0.00           C  
HETATM   12  C   UNL     1     -21.457  -0.212  -0.609  1.00  0.00           C  
HETATM   13  C   UNL     1     -20.224   0.543  -0.109  1.00  0.00           C  
HETATM   14  C   UNL     1     -18.960  -0.221  -0.508  1.00  0.00           C  
HETATM   15  C   UNL     1     -17.727   0.534  -0.008  1.00  0.00           C  
HETATM   16  C   UNL     1     -16.464  -0.231  -0.408  1.00  0.00           C  
HETATM   17  C   UNL     1     -15.231   0.524   0.093  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.967  -0.241  -0.307  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.734   0.514   0.194  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.471  -0.251  -0.206  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.238   0.504   0.295  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.974  -0.261  -0.105  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.741   0.494   0.395  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.478  -0.271  -0.004  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.245   0.484   0.496  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.982  -0.280   0.096  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.749   0.474   0.597  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.485  -0.290   0.197  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.252   0.465   0.698  1.00  0.00           C  
HETATM   30  C   UNL     1       1.011  -0.300   0.298  1.00  0.00           C  
HETATM   31  C   UNL     1       2.244   0.455   0.799  1.00  0.00           C  
HETATM   32  C   UNL     1       3.508  -0.310   0.399  1.00  0.00           C  
HETATM   33  C   UNL     1       4.722   0.433   0.892  1.00  0.00           C  
HETATM   34  O   UNL     1       4.590   1.473   1.503  1.00  0.00           O  
HETATM   35  C   UNL     1       7.135   0.666   1.133  1.00  0.00           C  
HETATM   36  O   UNL     1       7.938   0.986  -1.123  1.00  0.00           O  
HETATM   37  O   UNL     1       8.463   3.059   1.850  1.00  0.00           O  
HETATM   38  O   UNL     1       8.670  -0.930   0.165  1.00  0.00           O  
HETATM   39  C   UNL     1       9.729  -1.879   0.300  1.00  0.00           C  
HETATM   40  O   UNL     1       9.245  -3.042   0.976  1.00  0.00           O  
HETATM   41  C   UNL     1       8.154  -3.688   0.316  1.00  0.00           C  
HETATM   42  C   UNL     1       7.703  -4.895   1.139  1.00  0.00           C  
HETATM   43  O   UNL     1       7.176  -4.449   2.390  1.00  0.00           O  
HETATM   44  C   UNL     1       8.603  -4.155  -1.071  1.00  0.00           C  
HETATM   45  O   UNL     1       9.655  -5.113  -0.935  1.00  0.00           O  
HETATM   46  C   UNL     1       9.110  -2.948  -1.868  1.00  0.00           C  
HETATM   47  O   UNL     1       9.600  -3.386  -3.138  1.00  0.00           O  
HETATM   48  C   UNL     1      10.242  -2.274  -1.087  1.00  0.00           C  
HETATM   49  O   UNL     1      10.674  -1.105  -1.787  1.00  0.00           O  
HETATM   50  H   UNL     1       6.060  -0.890   0.169  1.00  0.00           H  
HETATM   51  H   UNL     1       6.761   2.367  -0.135  1.00  0.00           H  
HETATM   52  H   UNL     1       9.632   1.786   0.718  1.00  0.00           H  
HETATM   53  H   UNL     1       9.314   3.109  -1.394  1.00  0.00           H  
HETATM   54  H   UNL     1       8.342   4.281  -0.472  1.00  0.00           H  
HETATM   55  H   UNL     1      10.273   4.706   1.025  1.00  0.00           H  
HETATM   56  H   UNL     1      11.245   3.533   0.103  1.00  0.00           H  
HETATM   57  H   UNL     1      10.960   4.906  -1.943  1.00  0.00           H  
HETATM   58  H   UNL     1       9.989   6.078  -1.021  1.00  0.00           H  
HETATM   59  H   UNL     1      11.920   6.502   0.476  1.00  0.00           H  
HETATM   60  H   UNL     1      12.892   5.330  -0.446  1.00  0.00           H  
HETATM   61  H   UNL     1      12.607   6.703  -2.491  1.00  0.00           H  
HETATM   62  H   UNL     1      11.636   7.875  -1.570  1.00  0.00           H  
HETATM   63  H   UNL     1      13.359   7.650  -1.186  1.00  0.00           H  
HETATM   64  H   UNL     1       9.117   0.198   1.837  1.00  0.00           H  
HETATM   65  H   UNL     1       7.924  -1.099   2.084  1.00  0.00           H  
HETATM   66  H   UNL     1     -23.975  -1.197  -0.266  1.00  0.00           H  
HETATM   67  H   UNL     1     -24.853   0.343  -0.425  1.00  0.00           H  
HETATM   68  H   UNL     1     -23.910  -0.289  -1.796  1.00  0.00           H  
HETATM   69  H   UNL     1     -22.698   1.548  -0.654  1.00  0.00           H  
HETATM   70  H   UNL     1     -22.764   0.641   0.876  1.00  0.00           H  
HETATM   71  H   UNL     1     -21.479  -1.207  -0.165  1.00  0.00           H  
HETATM   72  H   UNL     1     -21.413  -0.299  -1.695  1.00  0.00           H  
HETATM   73  H   UNL     1     -20.202   1.539  -0.553  1.00  0.00           H  
HETATM   74  H   UNL     1     -20.267   0.631   0.977  1.00  0.00           H  
HETATM   75  H   UNL     1     -18.982  -1.217  -0.064  1.00  0.00           H  
HETATM   76  H   UNL     1     -18.917  -0.309  -1.594  1.00  0.00           H  
HETATM   77  H   UNL     1     -17.705   1.529  -0.452  1.00  0.00           H  
HETATM   78  H   UNL     1     -17.771   0.621   1.078  1.00  0.00           H  
HETATM   79  H   UNL     1     -16.486  -1.226   0.036  1.00  0.00           H  
HETATM   80  H   UNL     1     -16.420  -0.319  -1.493  1.00  0.00           H  
HETATM   81  H   UNL     1     -15.209   1.519  -0.351  1.00  0.00           H  
HETATM   82  H   UNL     1     -15.274   0.611   1.179  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.989  -1.236   0.137  1.00  0.00           H  
HETATM   84  H   UNL     1     -13.924  -0.329  -1.393  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.712   1.509  -0.250  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.778   0.601   1.279  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.493  -1.246   0.238  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.427  -0.338  -1.292  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.216   1.499  -0.149  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.281   0.591   1.380  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.996  -1.256   0.339  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.931  -0.348  -1.191  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.720   1.489  -0.049  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.785   0.582   1.481  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.500  -1.266   0.440  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.435  -0.358  -1.090  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.223   1.479   0.052  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.289   0.572   1.582  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.004  -1.276   0.540  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.938  -0.368  -0.989  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.727   1.470   0.153  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.792   0.562   1.683  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.507  -1.286   0.641  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.442  -0.378  -0.888  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.230   1.460   0.254  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.296   0.552   1.783  1.00  0.00           H  
HETATM  107  H   UNL     1       0.989  -1.295   0.742  1.00  0.00           H  
HETATM  108  H   UNL     1       1.055  -0.388  -0.788  1.00  0.00           H  
HETATM  109  H   UNL     1       2.266   1.450   0.355  1.00  0.00           H  
HETATM  110  H   UNL     1       2.201   0.542   1.884  1.00  0.00           H  
HETATM  111  H   UNL     1       3.486  -1.305   0.843  1.00  0.00           H  
HETATM  112  H   UNL     1       3.551  -0.398  -0.687  1.00  0.00           H  
HETATM  113  H   UNL     1       6.890   1.191   2.057  1.00  0.00           H  
HETATM  114  H   UNL     1       7.220   0.467  -1.509  1.00  0.00           H  
HETATM  115  H   UNL     1       7.718   3.674   1.813  1.00  0.00           H  
HETATM  116  H   UNL     1      10.542  -1.437   0.876  1.00  0.00           H  
HETATM  117  H   UNL     1       7.325  -2.987   0.213  1.00  0.00           H  
HETATM  118  H   UNL     1       6.931  -5.439   0.594  1.00  0.00           H  
HETATM  119  H   UNL     1       8.554  -5.553   1.317  1.00  0.00           H  
HETATM  120  H   UNL     1       6.870  -5.163   2.966  1.00  0.00           H  
HETATM  121  H   UNL     1       7.761  -4.609  -1.593  1.00  0.00           H  
HETATM  122  H   UNL     1       9.989  -5.452  -1.777  1.00  0.00           H  
HETATM  123  H   UNL     1       8.295  -2.240  -2.016  1.00  0.00           H  
HETATM  124  H   UNL     1       9.937  -2.672  -3.696  1.00  0.00           H  
HETATM  125  H   UNL     1      11.077  -2.967  -0.984  1.00  0.00           H  
HETATM  126  H   UNL     1      11.387  -0.623  -1.346  1.00  0.00           H  
CONECT    1   33   35   50                                            
CONECT    2    3   35   36   51                                       
CONECT    3    2    4   37   52                                       
CONECT    4    3    5   53   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6    8   59   60                                       
CONECT    8    7   61   62   63                                       
CONECT    9   35   38   64   65                                       
CONECT   10   11   66   67   68                                       
CONECT   11   10   12   69   70                                       
CONECT   12   11   13   71   72                                       
CONECT   13   12   14   73   74                                       
CONECT   14   13   15   75   76                                       
CONECT   15   14   16   77   78                                       
CONECT   16   15   17   79   80                                       
CONECT   17   16   18   81   82                                       
CONECT   18   17   19   83   84                                       
CONECT   19   18   20   85   86                                       
CONECT   20   19   21   87   88                                       
CONECT   21   20   22   89   90                                       
CONECT   22   21   23   91   92                                       
CONECT   23   22   24   93   94                                       
CONECT   24   23   25   95   96                                       
CONECT   25   24   26   97   98                                       
CONECT   26   25   27   99  100                                       
CONECT   27   26   28  101  102                                       
CONECT   28   27   29  103  104                                       
CONECT   29   28   30  105  106                                       
CONECT   30   29   31  107  108                                       
CONECT   31   30   32  109  110                                       
CONECT   32   31   33  111  112                                       
CONECT   33    1   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35    1    2    9  113                                       
CONECT   36    2  114                                                 
CONECT   37    3  115                                                 
CONECT   38    9   39                                                 
CONECT   39   38   40   48  116                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   44  117                                       
CONECT   42   41   43  118  119                                       
CONECT   43   42  120                                                 
CONECT   44   41   45   46  121                                       
CONECT   45   44  122                                                 
CONECT   46   44   47   48  123                                       
CONECT   47   46  124                                                 
CONECT   48   39   46   49  125                                       
CONECT   49   48  126                                                 
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   18                                                      
CONECT   84   18                                                      
CONECT   85   19                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   22                                                      
CONECT   92   22                                                      
CONECT   93   23                                                      
CONECT   94   23                                                      
CONECT   95   24                                                      
CONECT   96   24                                                      
CONECT   97   25                                                      
CONECT   98   25                                                      
CONECT   99   26                                                      
CONECT  100   26                                                      
CONECT  101   27                                                      
CONECT  102   27                                                      
CONECT  103   28                                                      
CONECT  104   28                                                      
CONECT  105   29                                                      
CONECT  106   29                                                      
CONECT  107   30                                                      
CONECT  108   30                                                      
CONECT  109   31                                                      
CONECT  110   31                                                      
CONECT  111   32                                                      
CONECT  112   32                                                      
CONECT  113   35                                                      
CONECT  114   36                                                      
CONECT  115   37                                                      
CONECT  116   39                                                      
CONECT  117   41                                                      
CONECT  118   42                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   44                                                      
CONECT  122   45                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   48                                                      
CONECT  126   49                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
