COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.347  -1.931   0.291  1.00  0.00           O  
HETATM    2  C   UNL     1       7.522  -2.097  -0.575  1.00  0.00           C  
HETATM    3  O   UNL     1       7.727  -3.017  -1.530  1.00  0.00           O  
HETATM    4  C   UNL     1       8.963  -3.776  -1.460  1.00  0.00           C  
HETATM    5  C   UNL     1       9.019  -4.768  -2.623  1.00  0.00           C  
HETATM    6  C   UNL     1       6.258  -1.276  -0.579  1.00  0.00           C  
HETATM    7  C   UNL     1       6.271  -0.314   0.611  1.00  0.00           C  
HETATM    8  C   UNL     1       4.988   0.520   0.607  1.00  0.00           C  
HETATM    9  C   UNL     1       5.056   1.565   1.722  1.00  0.00           C  
HETATM   10  C   UNL     1       6.170   2.568   1.413  1.00  0.00           C  
HETATM   11  C   UNL     1       6.366   3.540   2.599  1.00  0.00           C  
HETATM   12  C   UNL     1       6.688   4.864   1.872  1.00  0.00           C  
HETATM   13  N   UNL     1       6.067   4.744   0.547  1.00  0.00           N  
HETATM   14  C   UNL     1       5.771   3.464   0.261  1.00  0.00           C  
HETATM   15  O   UNL     1       5.259   3.083  -0.770  1.00  0.00           O  
HETATM   16  N   UNL     1       3.835  -0.357   0.829  1.00  0.00           N  
HETATM   17  C   UNL     1       2.628  -0.022   0.332  1.00  0.00           C  
HETATM   18  O   UNL     1       2.475   1.048  -0.218  1.00  0.00           O  
HETATM   19  C   UNL     1       1.469  -0.976   0.459  1.00  0.00           C  
HETATM   20  C   UNL     1       1.810  -2.289  -0.250  1.00  0.00           C  
HETATM   21  C   UNL     1       0.704  -3.286  -0.019  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.360  -3.355  -0.899  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.375  -4.269  -0.687  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.326  -5.115   0.405  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.262  -5.047   1.285  1.00  0.00           C  
HETATM   26  C   UNL     1       0.755  -4.135   1.070  1.00  0.00           C  
HETATM   27  N   UNL     1       0.279  -0.384  -0.156  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.949  -0.769   0.245  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.068  -1.605   1.115  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.174  -0.159  -0.387  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.167   1.354  -0.158  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.342   1.988  -0.904  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.336   3.478  -0.678  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.281   4.246  -1.241  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.213   5.673  -0.980  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.880   6.222  -1.491  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.365   6.379  -1.699  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.323   5.922   0.526  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.479   3.981   0.010  1.00  0.00           O  
HETATM   40  N   UNL     1      -3.375  -0.739   0.217  1.00  0.00           N  
HETATM   41  C   UNL     1      -4.534  -0.760  -0.472  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.581  -0.297  -1.595  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.638  -1.293   0.083  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.850  -1.281  -0.717  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.973  -1.915   0.063  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.777  -1.136   0.874  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.807  -1.717   1.589  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.033  -3.077   1.493  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.230  -3.856   0.681  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.203  -3.274  -0.037  1.00  0.00           C  
HETATM   51  H   UNL     1       6.198  -0.705  -1.506  1.00  0.00           H  
HETATM   52  H   UNL     1       5.395  -1.937  -0.503  1.00  0.00           H  
HETATM   53  H   UNL     1       9.811  -3.094  -1.523  1.00  0.00           H  
HETATM   54  H   UNL     1       9.003  -4.319  -0.516  1.00  0.00           H  
HETATM   55  H   UNL     1       8.171  -5.450  -2.560  1.00  0.00           H  
HETATM   56  H   UNL     1       8.979  -4.225  -3.567  1.00  0.00           H  
HETATM   57  H   UNL     1       9.947  -5.338  -2.570  1.00  0.00           H  
HETATM   58  H   UNL     1       6.331  -0.885   1.538  1.00  0.00           H  
HETATM   59  H   UNL     1       7.134   0.347   0.535  1.00  0.00           H  
HETATM   60  H   UNL     1       4.884   1.021  -0.355  1.00  0.00           H  
HETATM   61  H   UNL     1       4.103   2.090   1.787  1.00  0.00           H  
HETATM   62  H   UNL     1       5.265   1.071   2.671  1.00  0.00           H  
HETATM   63  H   UNL     1       3.941  -1.178   1.334  1.00  0.00           H  
HETATM   64  H   UNL     1       7.100   2.047   1.189  1.00  0.00           H  
HETATM   65  H   UNL     1       5.452   3.630   3.186  1.00  0.00           H  
HETATM   66  H   UNL     1       7.201   3.227   3.226  1.00  0.00           H  
HETATM   67  H   UNL     1       6.259   5.707   2.414  1.00  0.00           H  
HETATM   68  H   UNL     1       7.766   4.988   1.773  1.00  0.00           H  
HETATM   69  H   UNL     1       5.893   5.491  -0.046  1.00  0.00           H  
HETATM   70  H   UNL     1       1.274  -1.173   1.513  1.00  0.00           H  
HETATM   71  H   UNL     1       1.918  -2.107  -1.319  1.00  0.00           H  
HETATM   72  H   UNL     1       2.744  -2.684   0.147  1.00  0.00           H  
HETATM   73  H   UNL     1       0.374   0.285  -0.851  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.398  -2.694  -1.753  1.00  0.00           H  
HETATM   75  H   UNL     1       1.588  -4.085   1.756  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.206  -4.323  -1.375  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.119  -5.829   0.571  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.223  -5.708   2.138  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.170  -0.364  -1.458  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.260   1.559   0.909  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.232   1.773  -0.528  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.338  -1.109   1.113  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.249   1.782  -1.971  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.277   1.568  -0.534  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.801   6.044  -2.564  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.828   7.293  -1.295  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.059   5.719  -0.979  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.315   5.988  -1.334  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.313   7.450  -1.503  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.286   6.201  -2.772  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.503   5.419   1.038  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.272   6.993   0.722  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.273   5.531   0.890  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.113  -0.252  -0.962  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.683  -1.843  -1.636  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.599  -0.073   0.949  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.577  -3.882  -0.674  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.434  -1.108   2.223  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.838  -3.531   2.052  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.407  -4.919   0.607  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   53   54                                       
CONECT    5    4   55   56   57                                       
CONECT    6    2    7   51   52                                       
CONECT    7    6    8   58   59                                       
CONECT    8    7    9   16   60                                       
CONECT    9    8   10   61   62                                       
CONECT   10    9   11   14   64                                       
CONECT   11   10   12   65   66                                       
CONECT   12   11   13   67   68                                       
CONECT   13   12   14   69                                            
CONECT   14   10   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16    8   17   63                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   27   70                                       
CONECT   20   19   21   71   72                                       
CONECT   21   20   22   26   26                                       
CONECT   22   21   23   23   74                                       
CONECT   23   22   22   24   76                                       
CONECT   24   23   25   25   77                                       
CONECT   25   24   24   26   78                                       
CONECT   26   21   21   25   75                                       
CONECT   27   19   28   73                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   40   79                                       
CONECT   31   30   32   80   81                                       
CONECT   32   31   33   83   84                                       
CONECT   33   32   34   39   39                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   37   38                                       
CONECT   36   35   85   86   87                                       
CONECT   37   35   88   89   90                                       
CONECT   38   35   91   92   93                                       
CONECT   39   33   33                                                 
CONECT   40   30   41   82                                            
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44                                                 
CONECT   44   43   45   94   95                                       
CONECT   45   44   46   50   50                                       
CONECT   46   45   47   47   96                                       
CONECT   47   46   46   48   98                                       
CONECT   48   47   49   49   99                                       
CONECT   49   48   48   50  100                                       
CONECT   50   45   45   49   97                                       
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   16                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   27                                                      
CONECT   74   22                                                      
CONECT   75   26                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   40                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   46                                                      
CONECT   97   50                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
