COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.269  -1.401  -2.255  1.00  0.00           O  
HETATM    2  C   UNL     1       3.888  -0.076  -1.878  1.00  0.00           C  
HETATM    3  C   UNL     1       2.912  -0.139  -0.701  1.00  0.00           C  
HETATM    4  O   UNL     1       2.507   1.179  -0.339  1.00  0.00           O  
HETATM    5  C   UNL     1       3.647   1.847   0.198  1.00  0.00           C  
HETATM    6  C   UNL     1       3.218   3.198   0.774  1.00  0.00           C  
HETATM    7  C   UNL     1       4.684   2.072  -0.904  1.00  0.00           C  
HETATM    8  C   UNL     1       5.132   0.712  -1.452  1.00  0.00           C  
HETATM    9  N   UNL     1       6.012   0.914  -2.612  1.00  0.00           N  
HETATM   10  C   UNL     1       5.338   1.880  -3.490  1.00  0.00           C  
HETATM   11  C   UNL     1       7.225   1.574  -2.111  1.00  0.00           C  
HETATM   12  O   UNL     1       1.763  -0.902  -1.078  1.00  0.00           O  
HETATM   13  C   UNL     1       0.890  -0.928   0.061  1.00  0.00           C  
HETATM   14  C   UNL     1       1.237  -2.137   0.916  1.00  0.00           C  
HETATM   15  C   UNL     1       1.992  -1.664   2.143  1.00  0.00           C  
HETATM   16  O   UNL     1       2.910  -0.890   2.013  1.00  0.00           O  
HETATM   17  C   UNL     1       1.605  -2.154   3.513  1.00  0.00           C  
HETATM   18  C   UNL     1       1.115  -1.000   4.352  1.00  0.00           C  
HETATM   19  O   UNL     1       1.748   0.029   4.382  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.018  -1.109   5.060  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.543   0.022   5.801  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.042  -0.038   7.248  1.00  0.00           C  
HETATM   23  C   UNL     1       1.485   0.031   7.261  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.081  -0.023   5.798  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.570   0.522   7.068  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.312   1.605   6.831  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.885   2.221   7.706  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.364   1.947   5.534  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.635   0.940   4.747  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.500   0.345   3.649  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.867   0.635   2.304  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.837   1.766   1.886  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.257  -0.480   1.482  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.495  -1.399   2.431  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.347   0.127   0.431  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.548  -0.849  -0.419  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.495  -0.270  -1.756  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.825  -0.310  -2.276  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.817   0.151  -3.711  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.235  -0.660  -4.671  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.228  -0.207  -6.078  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.659  -1.055  -7.089  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.636  -0.573  -8.409  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.168   0.742  -8.655  1.00  0.00           C  
HETATM   45  N   UNL     1      -1.760   1.511  -7.640  1.00  0.00           N  
HETATM   46  C   UNL     1      -1.778   1.084  -6.403  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.140   1.219  -9.977  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.560   0.418 -10.995  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.019  -0.873 -10.751  1.00  0.00           C  
HETATM   50  C   UNL     1      -3.061  -1.371  -9.484  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.220  -2.202  -0.584  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.888   1.015   3.659  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.551  -1.467   5.678  1.00  0.00           C  
HETATM   54  C   UNL     1       2.827  -2.776   4.191  1.00  0.00           C  
HETATM   55  C   UNL     1       2.175  -3.062   0.119  1.00  0.00           C  
HETATM   56  H   UNL     1       3.459  -1.861  -2.514  1.00  0.00           H  
HETATM   57  H   UNL     1       3.412   0.420  -2.723  1.00  0.00           H  
HETATM   58  H   UNL     1       3.400  -0.615   0.149  1.00  0.00           H  
HETATM   59  H   UNL     1       4.084   1.238   0.989  1.00  0.00           H  
HETATM   60  H   UNL     1       2.483   3.040   1.563  1.00  0.00           H  
HETATM   61  H   UNL     1       4.088   3.710   1.185  1.00  0.00           H  
HETATM   62  H   UNL     1       2.778   3.807  -0.015  1.00  0.00           H  
HETATM   63  H   UNL     1       4.242   2.662  -1.706  1.00  0.00           H  
HETATM   64  H   UNL     1       5.544   2.600  -0.493  1.00  0.00           H  
HETATM   65  H   UNL     1       5.668   0.164  -0.678  1.00  0.00           H  
HETATM   66  H   UNL     1       5.884   1.959  -4.430  1.00  0.00           H  
HETATM   67  H   UNL     1       4.320   1.543  -3.687  1.00  0.00           H  
HETATM   68  H   UNL     1       5.310   2.855  -3.003  1.00  0.00           H  
HETATM   69  H   UNL     1       7.934   1.699  -2.929  1.00  0.00           H  
HETATM   70  H   UNL     1       6.965   2.550  -1.702  1.00  0.00           H  
HETATM   71  H   UNL     1       7.676   0.961  -1.330  1.00  0.00           H  
HETATM   72  H   UNL     1       1.105  -0.022   0.653  1.00  0.00           H  
HETATM   73  H   UNL     1       0.378  -2.701   1.242  1.00  0.00           H  
HETATM   74  H   UNL     1       0.820  -2.903   3.436  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.220   0.955   5.340  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.367  -0.972   7.706  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.449   0.802   7.809  1.00  0.00           H  
HETATM   78  H   UNL     1       1.842  -0.011   8.290  1.00  0.00           H  
HETATM   79  H   UNL     1       1.893  -0.809   6.700  1.00  0.00           H  
HETATM   80  H   UNL     1       1.810   0.966   6.803  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.784   2.752   5.194  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.777   1.461   4.261  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.664  -0.720   3.731  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.069  -1.034   1.009  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.728  -0.827   2.953  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.188  -1.825   3.157  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.026  -2.201   1.862  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.648   0.819   0.923  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.966   0.744  -0.243  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.204  -1.331  -2.226  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.466   0.344  -1.687  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.471   1.145  -3.956  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.582  -1.653  -4.426  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.005  -2.054  -6.868  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.440   1.739  -5.614  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.788   2.219 -10.184  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.536   0.791 -12.008  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.346  -1.488 -11.576  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.419  -2.375  -9.307  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.289  -2.059  -0.744  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.790  -2.719  -1.442  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.064  -2.797   0.315  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.497   0.602   2.854  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.376   0.827   4.616  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.775   2.089   3.514  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.258  -2.020   6.571  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.636  -1.489   5.577  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.095  -1.926   4.801  1.00  0.00           H  
HETATM  109  H   UNL     1       2.550  -3.133   5.183  1.00  0.00           H  
HETATM  110  H   UNL     1       3.189  -3.611   3.592  1.00  0.00           H  
HETATM  111  H   UNL     1       3.613  -2.026   4.282  1.00  0.00           H  
HETATM  112  H   UNL     1       2.461  -3.911   0.739  1.00  0.00           H  
HETATM  113  H   UNL     1       1.660  -3.420  -0.772  1.00  0.00           H  
HETATM  114  H   UNL     1       3.067  -2.509  -0.174  1.00  0.00           H  
CONECT    1    2   56                                                 
CONECT    2    1    3    8   57                                       
CONECT    3    2    4   12   58                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    7   59                                       
CONECT    6    5   60   61   62                                       
CONECT    7    5    8   63   64                                       
CONECT    8    2    7    9   65                                       
CONECT    9    8   10   11                                            
CONECT   10    9   66   67   68                                       
CONECT   11    9   69   70   71                                       
CONECT   12    3   13                                                 
CONECT   13   12   14   36   72                                       
CONECT   14   13   15   55   73                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   54   74                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   24   75                                       
CONECT   22   21   23   76   77                                       
CONECT   23   22   78   79   80                                       
CONECT   24   21   25   29   53                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   81                                            
CONECT   29   24   28   30   82                                       
CONECT   30   29   31   52   83                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   35   84                                       
CONECT   34   33   85   86   87                                       
CONECT   35   33   36   88   89                                       
CONECT   36   13   35   37   51                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   90   91                                       
CONECT   39   38   40   40   92                                       
CONECT   40   39   39   41   93                                       
CONECT   41   40   42   42   46                                       
CONECT   42   41   41   43   94                                       
CONECT   43   42   44   44   50                                       
CONECT   44   43   43   45   47                                       
CONECT   45   44   46   46                                            
CONECT   46   41   45   45   95                                       
CONECT   47   44   48   48   96                                       
CONECT   48   47   47   49   97                                       
CONECT   49   48   50   50   98                                       
CONECT   50   43   49   49   99                                       
CONECT   51   36  100  101  102                                       
CONECT   52   30  103  104  105                                       
CONECT   53   24  106  107  108                                       
CONECT   54   17  109  110  111                                       
CONECT   55   14  112  113  114                                       
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   17                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   42                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   52                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   53                                                      
CONECT  108   53                                                      
CONECT  109   54                                                      
CONECT  110   54                                                      
CONECT  111   54                                                      
CONECT  112   55                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
