COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.477  -4.024   1.891  1.00  0.00           O  
HETATM    2  C   UNL     1       6.325  -4.585   1.258  1.00  0.00           C  
HETATM    3  C   UNL     1       6.362  -4.270  -0.239  1.00  0.00           C  
HETATM    4  C   UNL     1       5.129  -4.870  -0.917  1.00  0.00           C  
HETATM    5  C   UNL     1       5.061  -3.984   1.875  1.00  0.00           C  
HETATM    6  C   UNL     1       3.828  -4.585   1.196  1.00  0.00           C  
HETATM    7  C   UNL     1       3.864  -4.269  -0.300  1.00  0.00           C  
HETATM    8  N   UNL     1       3.869  -2.817  -0.493  1.00  0.00           N  
HETATM    9  C   UNL     1       2.676  -2.118  -0.511  1.00  0.00           C  
HETATM   10  C   UNL     1       2.667  -0.723  -0.695  1.00  0.00           C  
HETATM   11  C   UNL     1       3.932   0.029  -0.876  1.00  0.00           C  
HETATM   12  C   UNL     1       4.069   0.923  -1.937  1.00  0.00           C  
HETATM   13  C   UNL     1       5.249   1.620  -2.101  1.00  0.00           C  
HETATM   14  C   UNL     1       6.294   1.433  -1.214  1.00  0.00           C  
HETATM   15  C   UNL     1       7.580   2.198  -1.397  1.00  0.00           C  
HETATM   16  N   UNL     1       7.504   3.467  -0.661  1.00  0.00           N  
HETATM   17  C   UNL     1       8.633   4.342  -1.003  1.00  0.00           C  
HETATM   18  C   UNL     1       8.476   5.681  -0.278  1.00  0.00           C  
HETATM   19  N   UNL     1       8.416   5.446   1.171  1.00  0.00           N  
HETATM   20  C   UNL     1       9.683   4.890   1.667  1.00  0.00           C  
HETATM   21  C   UNL     1       7.287   4.570   1.514  1.00  0.00           C  
HETATM   22  C   UNL     1       7.445   3.231   0.789  1.00  0.00           C  
HETATM   23  C   UNL     1       6.163   0.548  -0.159  1.00  0.00           C  
HETATM   24  C   UNL     1       4.986  -0.150   0.018  1.00  0.00           C  
HETATM   25  C   UNL     1       1.437  -0.067  -0.704  1.00  0.00           C  
HETATM   26  N   UNL     1       0.330  -0.771  -0.540  1.00  0.00           N  
HETATM   27  C   UNL     1       0.375  -2.085  -0.369  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.810  -2.781  -0.201  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.018  -2.089  -0.099  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.183  -2.647  -0.617  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.376  -1.967  -0.519  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.416  -0.715   0.103  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.656  -0.005   0.208  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.672   0.577   0.294  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.911   1.288   0.398  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.942   2.478   0.991  1.00  0.00           N  
HETATM   37  C   UNL     1      -9.061   3.161   1.107  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.253   2.663   0.614  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.267   1.423  -0.013  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.550   0.853  -0.562  1.00  0.00           C  
HETATM   41  O   UNL     1     -12.637   1.763  -0.325  1.00  0.00           O  
HETATM   42  C   UNL     1     -13.803   0.967  -0.050  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.311  -0.497  -0.098  1.00  0.00           C  
HETATM   44  O   UNL     1     -11.888  -0.367   0.133  1.00  0.00           O  
HETATM   45  C   UNL     1      -9.078   0.728  -0.128  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.243  -0.158   0.623  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.055  -0.847   0.525  1.00  0.00           C  
HETATM   48  N   UNL     1       1.519  -2.752  -0.358  1.00  0.00           N  
HETATM   49  H   UNL     1       7.519  -4.185   2.844  1.00  0.00           H  
HETATM   50  H   UNL     1       6.322  -5.665   1.401  1.00  0.00           H  
HETATM   51  H   UNL     1       6.366  -3.189  -0.383  1.00  0.00           H  
HETATM   52  H   UNL     1       7.263  -4.698  -0.678  1.00  0.00           H  
HETATM   53  H   UNL     1       5.155  -4.646  -1.983  1.00  0.00           H  
HETATM   54  H   UNL     1       5.125  -5.951  -0.773  1.00  0.00           H  
HETATM   55  H   UNL     1       5.034  -4.209   2.941  1.00  0.00           H  
HETATM   56  H   UNL     1       5.064  -2.904   1.731  1.00  0.00           H  
HETATM   57  H   UNL     1       3.824  -5.665   1.340  1.00  0.00           H  
HETATM   58  H   UNL     1       2.927  -4.157   1.636  1.00  0.00           H  
HETATM   59  H   UNL     1       2.986  -4.697  -0.784  1.00  0.00           H  
HETATM   60  H   UNL     1       4.709  -2.346  -0.609  1.00  0.00           H  
HETATM   61  H   UNL     1       3.254   1.069  -2.630  1.00  0.00           H  
HETATM   62  H   UNL     1       5.356   2.312  -2.922  1.00  0.00           H  
HETATM   63  H   UNL     1       8.412   1.606  -1.017  1.00  0.00           H  
HETATM   64  H   UNL     1       7.733   2.401  -2.457  1.00  0.00           H  
HETATM   65  H   UNL     1       9.566   3.870  -0.696  1.00  0.00           H  
HETATM   66  H   UNL     1       8.649   4.512  -2.080  1.00  0.00           H  
HETATM   67  H   UNL     1       9.327   6.321  -0.508  1.00  0.00           H  
HETATM   68  H   UNL     1       7.556   6.166  -0.606  1.00  0.00           H  
HETATM   69  H   UNL     1      10.492   5.590   1.459  1.00  0.00           H  
HETATM   70  H   UNL     1       9.611   4.726   2.742  1.00  0.00           H  
HETATM   71  H   UNL     1       9.884   3.943   1.167  1.00  0.00           H  
HETATM   72  H   UNL     1       7.272   4.401   2.591  1.00  0.00           H  
HETATM   73  H   UNL     1       6.354   5.042   1.207  1.00  0.00           H  
HETATM   74  H   UNL     1       6.593   2.591   1.019  1.00  0.00           H  
HETATM   75  H   UNL     1       8.364   2.746   1.116  1.00  0.00           H  
HETATM   76  H   UNL     1       6.983   0.406   0.530  1.00  0.00           H  
HETATM   77  H   UNL     1       4.884  -0.838   0.844  1.00  0.00           H  
HETATM   78  H   UNL     1       1.389   1.003  -0.843  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.801  -3.750  -0.155  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.151  -3.614  -1.097  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.280  -2.400  -0.922  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.049   4.125   1.594  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.165   3.232   0.715  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.447   0.660  -1.630  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.197   1.201   0.939  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.565   1.135  -0.811  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.778  -1.087   0.690  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.505  -0.936  -1.077  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.052  -0.237  -0.613  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.270   0.808   1.104  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.149  -0.420   0.930  1.00  0.00           H  
CONECT    1    2   49                                                 
CONECT    2    1    3    5   50                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3    7   53   54                                       
CONECT    5    2    6   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    4    6    8   59                                       
CONECT    8    7    9   60                                            
CONECT    9    8   10   10   48                                       
CONECT   10    9    9   11   25                                       
CONECT   11   10   12   12   24                                       
CONECT   12   11   11   13   61                                       
CONECT   13   12   14   14   62                                       
CONECT   14   13   13   15   23                                       
CONECT   15   14   16   63   64                                       
CONECT   16   15   17   22                                            
CONECT   17   16   18   65   66                                       
CONECT   18   17   19   67   68                                       
CONECT   19   18   20   21                                            
CONECT   20   19   69   70   71                                       
CONECT   21   19   22   72   73                                       
CONECT   22   16   21   74   75                                       
CONECT   23   14   24   24   76                                       
CONECT   24   11   23   23   77                                       
CONECT   25   10   26   26   78                                       
CONECT   26   25   25   27                                            
CONECT   27   26   28   48   48                                       
CONECT   28   27   79   29                                            
CONECT   29   30   30   47   28                                       
CONECT   30   29   29   31   80                                       
CONECT   31   30   32   32   81                                       
CONECT   32   31   31   33   46                                       
CONECT   33   32   34   34   34                                       
CONECT   34   33   33   33   35                                       
CONECT   35   34   36   36   45                                       
CONECT   36   35   35   37                                            
CONECT   37   36   38   38   82                                       
CONECT   38   37   37   39   83                                       
CONECT   39   38   40   45   45                                       
CONECT   40   39   41   44   84                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   85   86                                       
CONECT   43   42   44   87   88                                       
CONECT   44   40   43                                                 
CONECT   45   35   39   39   89                                       
CONECT   46   32   47   47   90                                       
CONECT   47   29   46   46   91                                       
CONECT   48    9   27   27                                            
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
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    8                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
