COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.672   3.326  -0.349  1.00  0.00           C  
HETATM    2  C   UNL     1       5.020   1.873  -0.011  1.00  0.00           C  
HETATM    3  C   UNL     1       3.908   0.956  -0.530  1.00  0.00           C  
HETATM    4  C   UNL     1       2.574   1.392   0.083  1.00  0.00           C  
HETATM    5  C   UNL     1       2.321   2.863  -0.259  1.00  0.00           C  
HETATM    6  C   UNL     1       1.019   3.323   0.400  1.00  0.00           C  
HETATM    7  C   UNL     1       7.456   1.798  -0.035  1.00  0.00           C  
HETATM    8  C   UNL     1       8.761   1.428  -0.690  1.00  0.00           C  
HETATM    9  N   UNL     1       6.289   1.513  -0.648  1.00  0.00           N  
HETATM   10  O   UNL     1       5.677   4.192   0.182  1.00  0.00           O  
HETATM   11  O   UNL     1       4.188  -0.394  -0.155  1.00  0.00           O  
HETATM   12  O   UNL     1       1.519   0.590  -0.451  1.00  0.00           O  
HETATM   13  O   UNL     1       3.406   3.657   0.225  1.00  0.00           O  
HETATM   14  O   UNL     1       0.729   4.663  -0.001  1.00  0.00           O  
HETATM   15  O   UNL     1       7.454   2.353   1.043  1.00  0.00           O  
HETATM   16  C   UNL     1       0.627   0.070   0.538  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.522  -0.671  -0.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.440  -1.276   0.916  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.615  -2.196   1.821  1.00  0.00           C  
HETATM   20  C   UNL     1       0.538  -1.397   2.433  1.00  0.00           C  
HETATM   21  C   UNL     1       1.402  -2.324   3.291  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.266   0.246  -0.956  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.476  -2.031   0.283  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.090  -3.279   1.050  1.00  0.00           O  
HETATM   25  O   UNL     1       1.334  -0.836   1.388  1.00  0.00           O  
HETATM   26  O   UNL     1       2.409  -1.557   3.955  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.177  -1.506   1.889  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.781  -1.469   0.436  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.785  -2.279  -0.389  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.169  -1.635  -0.268  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.084  -0.176  -0.727  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.030   0.553   0.110  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.895   1.995  -0.382  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.756   2.686   0.370  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.635   4.135  -0.107  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.331   0.362  -1.501  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.670   1.028  -1.315  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.386   0.471  -0.546  1.00  0.00           N  
HETATM   39  O   UNL     1      -3.386  -1.882   2.721  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.409  -1.121   2.259  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.098  -2.342  -1.093  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.773  -0.115  -0.022  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.612   1.996  -1.782  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.029   2.667   1.772  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.500   4.746   0.509  1.00  0.00           O  
HETATM   46  O   UNL     1      -8.103  -0.272  -2.510  1.00  0.00           O  
HETATM   47  C   UNL     1       4.964  -1.115  -1.115  1.00  0.00           C  
HETATM   48  C   UNL     1       5.307  -2.499  -0.558  1.00  0.00           C  
HETATM   49  C   UNL     1       4.012  -3.282  -0.324  1.00  0.00           C  
HETATM   50  C   UNL     1       3.232  -3.362  -1.640  1.00  0.00           C  
HETATM   51  C   UNL     1       2.968  -1.945  -2.155  1.00  0.00           C  
HETATM   52  C   UNL     1       2.242  -2.018  -3.499  1.00  0.00           C  
HETATM   53  O   UNL     1       6.009  -2.355   0.678  1.00  0.00           O  
HETATM   54  O   UNL     1       4.326  -4.602   0.126  1.00  0.00           O  
HETATM   55  O   UNL     1       3.997  -4.087  -2.605  1.00  0.00           O  
HETATM   56  O   UNL     1       4.212  -1.262  -2.322  1.00  0.00           O  
HETATM   57  H   UNL     1       4.624   3.445  -1.431  1.00  0.00           H  
HETATM   58  H   UNL     1       5.109   1.762   1.070  1.00  0.00           H  
HETATM   59  H   UNL     1       3.852   1.030  -1.616  1.00  0.00           H  
HETATM   60  H   UNL     1       2.614   1.271   1.165  1.00  0.00           H  
HETATM   61  H   UNL     1       2.241   2.977  -1.340  1.00  0.00           H  
HETATM   62  H   UNL     1       0.204   2.667   0.092  1.00  0.00           H  
HETATM   63  H   UNL     1       1.127   3.283   1.485  1.00  0.00           H  
HETATM   64  H   UNL     1       8.563   0.942  -1.645  1.00  0.00           H  
HETATM   65  H   UNL     1       9.352   2.328  -0.856  1.00  0.00           H  
HETATM   66  H   UNL     1       9.312   0.746  -0.042  1.00  0.00           H  
HETATM   67  H   UNL     1       6.291   1.069  -1.510  1.00  0.00           H  
HETATM   68  H   UNL     1       5.521   5.130   0.005  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.084   5.021   0.380  1.00  0.00           H  
HETATM   70  H   UNL     1       0.227   0.890   1.133  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.120  -1.465  -0.778  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.882  -0.478   1.513  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.249  -2.588   2.617  1.00  0.00           H  
HETATM   74  H   UNL     1       0.136  -0.596   3.054  1.00  0.00           H  
HETATM   75  H   UNL     1       0.776  -2.820   4.033  1.00  0.00           H  
HETATM   76  H   UNL     1       1.875  -3.072   2.655  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.745   0.671  -1.651  1.00  0.00           H  
HETATM   78  H   UNL     1       0.444  -3.903   1.561  1.00  0.00           H  
HETATM   79  H   UNL     1       2.995  -2.081   4.518  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.476  -2.286  -1.434  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.824  -3.301  -0.012  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.500  -1.672   0.770  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.801  -0.141  -1.779  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.333   0.553   1.157  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.827   2.530  -0.199  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.821   2.161   0.175  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.515   4.153  -1.190  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.536   4.684   0.168  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.529   2.103  -1.206  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.297   0.830  -2.184  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.151   0.632  -0.421  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.567   0.978   0.261  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.617  -1.163   3.202  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.198  -3.276  -0.862  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.794   1.537  -2.018  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.848   3.118   2.019  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.362   5.668   0.252  1.00  0.00           H  
HETATM   98  H   UNL     1       5.884  -0.568  -1.324  1.00  0.00           H  
HETATM   99  H   UNL     1       5.933  -3.034  -1.273  1.00  0.00           H  
HETATM  100  H   UNL     1       3.409  -2.773   0.427  1.00  0.00           H  
HETATM  101  H   UNL     1       2.283  -3.871  -1.470  1.00  0.00           H  
HETATM  102  H   UNL     1       2.351  -1.406  -1.436  1.00  0.00           H  
HETATM  103  H   UNL     1       1.293  -2.540  -3.372  1.00  0.00           H  
HETATM  104  H   UNL     1       2.054  -1.009  -3.866  1.00  0.00           H  
HETATM  105  H   UNL     1       2.859  -2.556  -4.218  1.00  0.00           H  
HETATM  106  H   UNL     1       6.839  -1.864   0.605  1.00  0.00           H  
HETATM  107  H   UNL     1       4.827  -4.626   0.953  1.00  0.00           H  
HETATM  108  H   UNL     1       3.562  -4.177  -3.464  1.00  0.00           H  
CONECT    1    2   10   13   57                                       
CONECT    2    1    3    9   58                                       
CONECT    3    2    4   11   59                                       
CONECT    4    3    5   12   60                                       
CONECT    5    4    6   13   61                                       
CONECT    6    5   14   62   63                                       
CONECT    7    8    9   15   15                                       
CONECT    8    7   64   65   66                                       
CONECT    9    2    7   67                                            
CONECT   10    1   68                                                 
CONECT   11    3   47                                                 
CONECT   12    4   16                                                 
CONECT   13    1    5                                                 
CONECT   14    6   69                                                 
CONECT   15    7    7                                                 
CONECT   16   17   25   70   12                                       
CONECT   17   16   18   22   71                                       
CONECT   18   17   19   23   72                                       
CONECT   19   18   20   24   73                                       
CONECT   20   19   21   25   74                                       
CONECT   21   20   26   75   76                                       
CONECT   22   17   77                                                 
CONECT   23   18   28                                                 
CONECT   24   19   78                                                 
CONECT   25   16   20                                                 
CONECT   26   21   79                                                 
CONECT   27   28   39   39   40                                       
CONECT   28   27   29   42   23                                       
CONECT   29   28   30   80   81                                       
CONECT   30   29   31   41   82                                       
CONECT   31   30   32   38   83                                       
CONECT   32   31   33   42   84                                       
CONECT   33   32   34   43   85                                       
CONECT   34   33   35   44   86                                       
CONECT   35   34   45   87   88                                       
CONECT   36   37   38   46   46                                       
CONECT   37   36   89   90   91                                       
CONECT   38   31   36   92                                            
CONECT   39   27   27                                                 
CONECT   40   27   93                                                 
CONECT   41   30   94                                                 
CONECT   42   28   32                                                 
CONECT   43   33   95                                                 
CONECT   44   34   96                                                 
CONECT   45   35   97                                                 
CONECT   46   36   36                                                 
CONECT   47   48   56   98   11                                       
CONECT   48   47   49   53   99                                       
CONECT   49   48   50   54  100                                       
CONECT   50   49   51   55  101                                       
CONECT   51   50   52   56  102                                       
CONECT   52   51  103  104  105                                       
CONECT   53   48  106                                                 
CONECT   54   49  107                                                 
CONECT   55   50  108                                                 
CONECT   56   47   51                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   14                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   52                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   55                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
