COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.085   4.477  -0.286  1.00  0.00           C  
HETATM    2  O   UNL     1       2.838   4.981  -1.505  1.00  0.00           O  
HETATM    3  C   UNL     1       3.867   3.196  -0.144  1.00  0.00           C  
HETATM    4  O   UNL     1       2.685   5.052   0.698  1.00  0.00           O  
HETATM    5  C   UNL     1       3.500   2.518   1.177  1.00  0.00           C  
HETATM    6  O   UNL     1       3.553   2.324  -1.232  1.00  0.00           O  
HETATM    7  C   UNL     1       4.210   1.166   1.271  1.00  0.00           C  
HETATM    8  O   UNL     1       5.620   1.374   1.372  1.00  0.00           O  
HETATM    9  C   UNL     1       3.717   0.415   2.510  1.00  0.00           C  
HETATM   10  O   UNL     1       6.701  -1.853   2.727  1.00  0.00           O  
HETATM   11  C   UNL     1       4.476  -0.910   2.632  1.00  0.00           C  
HETATM   12  O   UNL     1       6.116  -0.622   0.274  1.00  0.00           O  
HETATM   13  C   UNL     1       5.979  -0.621   2.685  1.00  0.00           C  
HETATM   14  O   UNL     1       1.898  -2.444  -1.009  1.00  0.00           O  
HETATM   15  C   UNL     1       6.384   0.167   1.436  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.377  -2.161  -1.533  1.00  0.00           O  
HETATM   17  C   UNL     1       7.848   0.501   1.504  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.524  -1.931   1.941  1.00  0.00           O  
HETATM   19  C   UNL     1       8.648   0.375   0.488  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.444   0.552  -1.367  1.00  0.00           O  
HETATM   21  C   UNL     1       8.183  -0.127  -0.851  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.211  -2.750   2.592  1.00  0.00           O  
HETATM   23  C   UNL     1       6.655  -0.052  -0.925  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.280   0.197  -0.300  1.00  0.00           O  
HETATM   25  C   UNL     1       6.159  -0.840  -2.139  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.551   1.842   0.761  1.00  0.00           O  
HETATM   27  C   UNL     1       4.654  -0.786  -2.193  1.00  0.00           C  
HETATM   28  C   UNL     1       3.956  -1.893  -2.138  1.00  0.00           C  
HETATM   29  C   UNL     1       2.451  -1.839  -2.191  1.00  0.00           C  
HETATM   30  C   UNL     1       1.941  -2.644  -3.401  1.00  0.00           C  
HETATM   31  C   UNL     1       1.014  -3.719  -2.780  1.00  0.00           C  
HETATM   32  C   UNL     1       0.682  -3.101  -1.404  1.00  0.00           C  
HETATM   33  C   UNL     1       0.324  -4.201  -0.411  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.055  -3.568   0.933  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.191  -2.567   0.706  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.738  -1.514  -0.310  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.899  -0.545  -0.571  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.390  -0.037   0.769  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.653  -1.055   1.858  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.907  -1.862   1.515  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.082  -0.909   1.292  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.304  -1.705   0.828  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.512  -0.772   0.725  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.760  -1.589   0.381  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.953  -0.641   0.221  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.624   0.399  -0.855  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.342   1.138  -0.465  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.974   2.134  -1.568  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.727   2.916  -1.145  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.001   3.607   0.194  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.404   2.554   1.229  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.019  -2.323  -0.542  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.580   1.242   0.979  1.00  0.00           C  
HETATM   54  C   UNL     1       6.737  -0.227  -3.416  1.00  0.00           C  
HETATM   55  C   UNL     1      10.099   0.747   0.658  1.00  0.00           C  
HETATM   56  C   UNL     1       5.365   3.509  -0.158  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.136   3.104  -1.790  1.00  0.00           C  
HETATM   58  H   UNL     1       2.332   5.804  -1.546  1.00  0.00           H  
HETATM   59  H   UNL     1       3.811   3.150   2.009  1.00  0.00           H  
HETATM   60  H   UNL     1       2.421   2.365   1.219  1.00  0.00           H  
HETATM   61  H   UNL     1       2.618   2.083  -1.285  1.00  0.00           H  
HETATM   62  H   UNL     1       3.992   0.578   0.379  1.00  0.00           H  
HETATM   63  H   UNL     1       3.896   1.020   3.398  1.00  0.00           H  
HETATM   64  H   UNL     1       2.649   0.215   2.414  1.00  0.00           H  
HETATM   65  H   UNL     1       6.490  -2.407   3.492  1.00  0.00           H  
HETATM   66  H   UNL     1       4.170  -1.423   3.543  1.00  0.00           H  
HETATM   67  H   UNL     1       4.256  -1.537   1.768  1.00  0.00           H  
HETATM   68  H   UNL     1       6.206  -0.035   3.576  1.00  0.00           H  
HETATM   69  H   UNL     1       8.252   0.862   2.438  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.130   1.202  -1.569  1.00  0.00           H  
HETATM   71  H   UNL     1       8.615   0.489  -1.640  1.00  0.00           H  
HETATM   72  H   UNL     1       8.502  -1.161  -0.982  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.306  -2.312   3.449  1.00  0.00           H  
HETATM   74  H   UNL     1       6.342   0.989  -1.010  1.00  0.00           H  
HETATM   75  H   UNL     1       6.483  -1.878  -2.056  1.00  0.00           H  
HETATM   76  H   UNL     1       4.151   0.166  -2.276  1.00  0.00           H  
HETATM   77  H   UNL     1       4.460  -2.845  -2.054  1.00  0.00           H  
HETATM   78  H   UNL     1       2.121  -0.803  -2.266  1.00  0.00           H  
HETATM   79  H   UNL     1       1.378  -2.001  -4.078  1.00  0.00           H  
HETATM   80  H   UNL     1       2.773  -3.113  -3.927  1.00  0.00           H  
HETATM   81  H   UNL     1       0.112  -3.848  -3.377  1.00  0.00           H  
HETATM   82  H   UNL     1       1.541  -4.667  -2.664  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.520  -4.775  -0.794  1.00  0.00           H  
HETATM   84  H   UNL     1       1.181  -4.860  -0.274  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.385  -4.345   1.622  1.00  0.00           H  
HETATM   86  H   UNL     1       0.810  -3.053   1.350  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.065  -3.091   0.320  1.00  0.00           H  
HETATM   88  H   UNL     1       0.121  -0.970   0.084  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.705  -1.066  -1.087  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.792  -0.544   2.811  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.730  -2.440   0.607  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.316  -0.396   2.225  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.816  -0.175   0.531  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.516  -2.497   1.546  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.661  -0.264   1.678  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.596  -2.128  -0.552  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.963  -2.299   1.182  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.833  -1.209  -0.078  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.148  -0.138   1.168  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.479  -0.101  -1.812  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.445   1.111  -0.936  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.769   1.594  -2.493  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.886   2.231  -1.037  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.491   3.664  -1.902  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.100   4.122   0.529  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.810   4.328   0.073  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.641   3.045   2.173  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.580   1.857   1.379  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.158  -2.988  -0.469  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.889  -2.891  -0.873  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.806  -1.532  -1.261  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.387   1.954   0.190  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.931   1.585   1.941  1.00  0.00           H  
HETATM  114  H   UNL     1       7.826  -0.266  -3.378  1.00  0.00           H  
HETATM  115  H   UNL     1       6.384  -0.789  -4.281  1.00  0.00           H  
HETATM  116  H   UNL     1       6.414   0.811  -3.500  1.00  0.00           H  
HETATM  117  H   UNL     1      10.269   1.089   1.679  1.00  0.00           H  
HETATM  118  H   UNL     1      10.723  -0.124   0.458  1.00  0.00           H  
HETATM  119  H   UNL     1      10.354   1.544  -0.040  1.00  0.00           H  
HETATM  120  H   UNL     1       5.630   4.057   0.746  1.00  0.00           H  
HETATM  121  H   UNL     1       5.930   2.578  -0.197  1.00  0.00           H  
HETATM  122  H   UNL     1       5.601   4.115  -1.033  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.339   3.645  -0.866  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.873   3.812  -2.576  1.00  0.00           H  
HETATM  125  H   UNL     1     -10.024   2.545  -2.086  1.00  0.00           H  
CONECT    1    4    4    3    2                                       
CONECT    2    1   58                                                 
CONECT    3    1   56    5    6                                       
CONECT    4    1    1                                                 
CONECT    5    3    7   59   60                                       
CONECT    6    3   61                                                 
CONECT    7    5    9    8   62                                       
CONECT    8    7   15                                                 
CONECT    9    7   11   63   64                                       
CONECT   10   13   65                                                 
CONECT   11    9   13   66   67                                       
CONECT   12   23   15                                                 
CONECT   13   10   11   15   68                                       
CONECT   14   32   29                                                 
CONECT   15    8   12   13   17                                       
CONECT   16   36   32                                                 
CONECT   17   15   19   19   69                                       
CONECT   18   39   35                                                 
CONECT   19   17   17   21   55                                       
CONECT   20   37   70                                                 
CONECT   21   19   23   71   72                                       
CONECT   22   40   73                                                 
CONECT   23   12   21   25   74                                       
CONECT   24   47   43                                                 
CONECT   25   23   27   54   75                                       
CONECT   26   51   47                                                 
CONECT   27   25   28   28   76                                       
CONECT   28   27   27   29   77                                       
CONECT   29   14   28   30   78                                       
CONECT   30   29   31   79   80                                       
CONECT   31   30   32   81   82                                       
CONECT   32   14   16   31   33                                       
CONECT   33   32   34   83   84                                       
CONECT   34   33   35   85   86                                       
CONECT   35   18   34   36   87                                       
CONECT   36   16   35   37   88                                       
CONECT   37   20   36   38   89                                       
CONECT   38   37   53   53   39                                       
CONECT   39   18   38   40   90                                       
CONECT   40   22   39   41   91                                       
CONECT   41   40   42   92   93                                       
CONECT   42   41   43   52   94                                       
CONECT   43   24   42   44   95                                       
CONECT   44   43   45   96   97                                       
CONECT   45   44   46   98   99                                       
CONECT   46   45   47  100  101                                       
CONECT   47   24   26   46   48                                       
CONECT   48   47   57   49  102                                       
CONECT   49   48   50  103  104                                       
CONECT   50   49   51  105  106                                       
CONECT   51   26   50  107  108                                       
CONECT   52   42  109  110  111                                       
CONECT   53   38   38  112  113                                       
CONECT   54   25  114  115  116                                       
CONECT   55   19  117  118  119                                       
CONECT   56    3  120  121  122                                       
CONECT   57   48  123  124  125                                       
CONECT   58    2                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   13                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   25                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   48                                                      
CONECT  103   49                                                      
CONECT  104   49                                                      
CONECT  105   50                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   52                                                      
CONECT  111   52                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   55                                                      
CONECT  119   55                                                      
CONECT  120   56                                                      
CONECT  121   56                                                      
CONECT  122   56                                                      
CONECT  123   57                                                      
CONECT  124   57                                                      
CONECT  125   57                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
