COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.954  -1.468   0.352  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.875  -1.248  -0.163  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.804  -0.367   0.855  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.399   0.905   0.816  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.050   1.270   0.345  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.245   0.415   0.030  1.00  0.00           O  
HETATM    7  N   UNL     1      -3.730   2.602   0.272  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.278   2.888   0.177  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.684   2.052  -0.926  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.398   1.446  -1.698  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.600   2.542   1.504  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.123   3.470   2.601  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.703   4.909   2.295  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.226   5.838   3.393  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.643   5.412   4.742  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.063   3.973   5.048  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.540   3.045   3.950  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.327   1.990  -1.038  1.00  0.00           N  
HETATM   19  C   UNL     1       0.200   1.165  -2.143  1.00  0.00           C  
HETATM   20  C   UNL     1       0.252  -0.272  -1.691  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.185  -0.598  -0.607  1.00  0.00           O  
HETATM   22  C   UNL     1       1.608   1.638  -2.511  1.00  0.00           C  
HETATM   23  C   UNL     1       1.539   3.040  -3.060  1.00  0.00           C  
HETATM   24  C   UNL     1       1.649   4.122  -2.207  1.00  0.00           C  
HETATM   25  C   UNL     1       1.373   3.243  -4.417  1.00  0.00           C  
HETATM   26  C   UNL     1       1.585   5.408  -2.710  1.00  0.00           C  
HETATM   27  C   UNL     1       1.310   4.529  -4.920  1.00  0.00           C  
HETATM   28  C   UNL     1       1.413   5.612  -4.066  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.666  -3.028  -1.920  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.537  -2.484  -2.565  1.00  0.00           O  
HETATM   31  C   UNL     1       0.784  -2.593  -2.022  1.00  0.00           C  
HETATM   32  N   UNL     1       0.803  -1.201  -2.532  1.00  0.00           N  
HETATM   33  C   UNL     1       1.439  -2.652  -0.641  1.00  0.00           C  
HETATM   34  C   UNL     1       2.909  -2.247  -0.756  1.00  0.00           C  
HETATM   35  C   UNL     1       3.564  -2.307   0.626  1.00  0.00           C  
HETATM   36  N   UNL     1       4.973  -1.918   0.516  1.00  0.00           N  
HETATM   37  C   UNL     1       5.754  -1.898   1.614  1.00  0.00           C  
HETATM   38  O   UNL     1       5.290  -2.200   2.695  1.00  0.00           O  
HETATM   39  C   UNL     1       7.178  -1.505   1.502  1.00  0.00           C  
HETATM   40  N   UNL     1       7.687  -1.168   0.320  1.00  0.00           N  
HETATM   41  C   UNL     1       8.954  -0.819   0.225  1.00  0.00           C  
HETATM   42  C   UNL     1       9.759  -0.803   1.355  1.00  0.00           C  
HETATM   43  N   UNL     1       9.259  -1.137   2.532  1.00  0.00           N  
HETATM   44  C   UNL     1       7.988  -1.483   2.637  1.00  0.00           C  
HETATM   45  N   UNL     1      -5.432  -2.741   0.485  1.00  0.00           N  
HETATM   46  CA  UNL     1      -4.631  -3.820  -0.124  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.658  -5.032   0.771  1.00  0.00           C  
HETATM   48  OXT UNL     1      -4.950  -4.916   1.938  1.00  0.00           O  
HETATM   49  C   UNL     1      -3.187  -3.347  -0.298  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.387  -4.448  -0.998  1.00  0.00           C  
HETATM   51  N   UNL     1      -0.968  -4.046  -1.065  1.00  0.00           N  
HETATM   52  O   UNL     1      -4.358  -6.242   0.273  1.00  0.00           O  
HETATM   53  H   UNL     1      -4.402   3.302   0.282  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.128   3.945  -0.045  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.822   1.508   1.766  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.522   2.668   1.405  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.211   3.410   2.640  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.615   4.970   2.256  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.118   5.213   1.334  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.927   6.863   3.175  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.314   5.777   3.432  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.556   5.472   4.703  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.016   6.074   5.524  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.648   3.670   6.009  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.151   3.913   5.087  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.839   2.019   4.168  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.452   3.105   3.911  1.00  0.00           H  
HETATM   68  H   UNL     1       0.259   2.462  -0.426  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.454   1.254  -3.011  1.00  0.00           H  
HETATM   70  H   UNL     1       2.239   1.626  -1.622  1.00  0.00           H  
HETATM   71  H   UNL     1       2.029   0.973  -3.264  1.00  0.00           H  
HETATM   72  H   UNL     1       1.783   3.963  -1.147  1.00  0.00           H  
HETATM   73  H   UNL     1       1.292   2.398  -5.084  1.00  0.00           H  
HETATM   74  H   UNL     1       1.670   6.254  -2.043  1.00  0.00           H  
HETATM   75  H   UNL     1       1.181   4.688  -5.981  1.00  0.00           H  
HETATM   76  H   UNL     1       1.363   6.616  -4.459  1.00  0.00           H  
HETATM   77  H   UNL     1       1.317  -3.249  -2.711  1.00  0.00           H  
HETATM   78  H   UNL     1       1.176  -0.966  -3.396  1.00  0.00           H  
HETATM   79  H   UNL     1       0.925  -1.968   0.035  1.00  0.00           H  
HETATM   80  H   UNL     1       1.371  -3.668  -0.250  1.00  0.00           H  
HETATM   81  H   UNL     1       3.423  -2.931  -1.431  1.00  0.00           H  
HETATM   82  H   UNL     1       2.977  -1.232  -1.147  1.00  0.00           H  
HETATM   83  H   UNL     1       3.051  -1.622   1.301  1.00  0.00           H  
HETATM   84  H   UNL     1       3.497  -3.322   1.016  1.00  0.00           H  
HETATM   85  H   UNL     1       5.343  -1.677  -0.348  1.00  0.00           H  
HETATM   86  H   UNL     1       9.367  -0.545  -0.735  1.00  0.00           H  
HETATM   87  H   UNL     1      10.797  -0.517   1.273  1.00  0.00           H  
HETATM   88  H   UNL     1       7.578  -1.751   3.599  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.258  -2.927   0.959  1.00  0.00           H  
HETATM   90  HA  UNL     1      -5.049  -4.078  -1.097  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.171  -2.441  -0.904  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.750  -3.142   0.679  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.476  -5.377  -0.435  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.772  -4.593  -2.007  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.289  -4.475  -0.521  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.389  -6.990   0.885  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.779  -0.607   1.266  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.067   1.685   1.166  1.00  0.00           H  
CONECT    1   45    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4   97                                       
CONECT    4    3    3    5   98                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5   53    8                                            
CONECT    8   11    7    9   54                                       
CONECT    9    8   18   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8   55   56   12                                       
CONECT   12   17   11   57   13                                       
CONECT   13   12   58   59   14                                       
CONECT   14   15   13   60   61                                       
CONECT   15   14   16   62   63                                       
CONECT   16   15   17   64   65                                       
CONECT   17   12   16   66   67                                       
CONECT   18    9   19   68                                            
CONECT   19   18   22   20   69                                       
CONECT   20   19   32   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   19   70   71   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   72   26                                       
CONECT   25   23   73   27   27                                       
CONECT   26   24   74   28   28                                       
CONECT   27   25   25   75   28                                       
CONECT   28   26   26   27   76                                       
CONECT   29   51   31   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   29   33   77   32                                       
CONECT   32   20   31   78                                            
CONECT   33   31   34   79   80                                       
CONECT   34   33   35   81   82                                       
CONECT   35   34   36   83   84                                       
CONECT   36   35   37   85                                            
CONECT   37   36   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   37   44   44   40                                       
CONECT   40   41   41   39                                            
CONECT   41   40   40   42   86                                       
CONECT   42   41   43   43   87                                       
CONECT   43   42   42   44                                            
CONECT   44   39   39   43   88                                       
CONECT   45    1   46   89                                            
CONECT   46   45   49   90   47                                       
CONECT   47   52   46   48   48                                       
CONECT   48   47   47                                                 
CONECT   49   46   50   91   92                                       
CONECT   50   49   51   93   94                                       
CONECT   51   29   50   95                                            
CONECT   52   47   96                                                 
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
CONECT   94   50                                                      
CONECT   95   51                                                      
CONECT   96   52                                                      
CONECT   97    3                                                      
CONECT   98    4                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
