COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.431  -1.161  -9.476  1.00  0.00           N  
HETATM    2  C   UNL     1       0.413  -1.336  -8.437  1.00  0.00           C  
HETATM    3  C   UNL     1       0.834  -2.465  -7.495  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.213  -2.644  -6.426  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.512  -1.624  -5.598  1.00  0.00           N  
HETATM    6  CA  UNL     1      -1.531  -1.798  -4.560  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.202  -0.477  -4.287  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.179  -0.395  -3.362  1.00  0.00           N  
HETATM    9  CA  UNL     1      -3.832   0.888  -3.098  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.291   0.936  -1.639  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.079   0.780  -0.718  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.539   0.828   0.740  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.327   0.673   1.661  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.786   0.720   3.120  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.575   0.565   4.042  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.027   0.612   5.478  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.126   0.494   6.473  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.565   0.540   7.870  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.372   0.386   8.777  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.537   0.398  10.115  1.00  0.00           N  
HETATM   21  C   UNL     1       0.622   0.249  10.997  1.00  0.00           C  
HETATM   22  C   UNL     1       0.163   0.297  12.456  1.00  0.00           C  
HETATM   23  C   UNL     1       1.374   0.141  13.377  1.00  0.00           C  
HETATM   24  N   UNL     1       0.933   0.187  14.778  1.00  0.00           N  
HETATM   25  C   UNL     1       2.138   0.033  15.605  1.00  0.00           C  
HETATM   26  C   UNL     1       1.749   0.072  17.084  1.00  0.00           C  
HETATM   27  C   UNL     1       3.003  -0.088  17.945  1.00  0.00           C  
HETATM   28  C   UNL     1       2.614  -0.049  19.425  1.00  0.00           C  
HETATM   29  C   UNL     1       3.850  -0.207  20.273  1.00  0.00           C  
HETATM   30  C   UNL     1       1.272  -0.216 -10.424  1.00  0.00           C  
HETATM   31  C   UNL     1       2.319  -0.037 -11.492  1.00  0.00           C  
HETATM   32  C   UNL     1       1.898   1.091 -12.435  1.00  0.00           C  
HETATM   33  N   UNL     1       0.613   0.753 -13.061  1.00  0.00           N  
HETATM   34  C   UNL     1       2.945   1.271 -13.503  1.00  0.00           C  
HETATM   35  C   UNL     1       3.598   2.483 -13.633  1.00  0.00           C  
HETATM   36  C   UNL     1       4.559   2.650 -14.612  1.00  0.00           C  
HETATM   37  C   UNL     1       4.868   1.600 -15.465  1.00  0.00           C  
HETATM   38  C   UNL     1       4.211   0.385 -15.333  1.00  0.00           C  
HETATM   39  C   UNL     1       3.256   0.221 -14.349  1.00  0.00           C  
HETATM   40  O   UNL     1       5.812   1.762 -16.429  1.00  0.00           O  
HETATM   41  O   UNL     1       0.286   0.489 -10.417  1.00  0.00           O  
HETATM   42  O   UNL     1       0.970  -3.679  -8.237  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.786  -3.707  -6.312  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.863   0.512  -4.901  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.869  -2.308  -3.277  1.00  0.00           C  
HETATM   46  N   UNL     1      -0.215  -3.596  -3.543  1.00  0.00           N  
HETATM   47  C   UNL     1      -5.025   1.042  -4.006  1.00  0.00           C  
HETATM   48  O   UNL     1      -5.374   2.142  -4.363  1.00  0.00           O  
HETATM   49  OXT UNL     1      -5.699  -0.042  -4.417  1.00  0.00           O  
HETATM   50  N   UNL     1      -1.673  -0.615   1.396  1.00  0.00           N  
HETATM   51  O   UNL     1      -3.423   1.973   3.378  1.00  0.00           O  
HETATM   52  O   UNL     1      -3.203   0.756   5.739  1.00  0.00           O  
HETATM   53  O   UNL     1       0.736   0.252   8.304  1.00  0.00           O  
HETATM   54  N   UNL     1       5.006  -0.347  19.711  1.00  0.00           N  
HETATM   55  N   UNL     1       3.748  -0.203  21.639  1.00  0.00           N  
HETATM   56  H   UNL     1       2.219  -1.726  -9.482  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.540  -1.587  -8.902  1.00  0.00           H  
HETATM   58  H   UNL     1       0.309  -0.410  -7.871  1.00  0.00           H  
HETATM   59  H   UNL     1       1.787  -2.214  -7.031  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.054  -0.774  -5.690  1.00  0.00           H  
HETATM   61  HA  UNL     1      -2.274  -2.521  -4.897  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.450  -1.187  -2.872  1.00  0.00           H  
HETATM   63  HA  UNL     1      -3.127   1.699  -3.284  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.776   1.892  -1.442  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.995   0.126  -1.453  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.594  -0.174  -0.915  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.375   1.591  -0.904  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.024   1.784   0.937  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.243   0.018   0.926  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.623   1.483   1.476  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.491  -0.089   3.306  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.089  -0.390   3.845  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.870   1.375   3.856  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.185   0.379   6.264  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.051   1.496   8.066  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.270  -0.270   8.056  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.424   0.506  10.493  1.00  0.00           H  
HETATM   78  H   UNL     1       1.108  -0.706  10.800  1.00  0.00           H  
HETATM   79  H   UNL     1       1.327   1.060  10.811  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.322   1.253  12.653  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.541  -0.513  12.642  1.00  0.00           H  
HETATM   82  H   UNL     1       1.860  -0.814  13.180  1.00  0.00           H  
HETATM   83  H   UNL     1       2.079   0.952  13.191  1.00  0.00           H  
HETATM   84  H   UNL     1       0.586   1.120  14.942  1.00  0.00           H  
HETATM   85  H   UNL     1       2.613  -0.921  15.379  1.00  0.00           H  
HETATM   86  H   UNL     1       2.832   0.845  15.390  1.00  0.00           H  
HETATM   87  H   UNL     1       1.273   1.026  17.310  1.00  0.00           H  
HETATM   88  H   UNL     1       1.054  -0.739  17.299  1.00  0.00           H  
HETATM   89  H   UNL     1       3.479  -1.042  17.720  1.00  0.00           H  
HETATM   90  H   UNL     1       3.698   0.723  17.731  1.00  0.00           H  
HETATM   91  H   UNL     1       2.139   0.905  19.650  1.00  0.00           H  
HETATM   92  H   UNL     1       1.920  -0.861  19.639  1.00  0.00           H  
HETATM   93  H   UNL     1       3.273   0.213 -11.028  1.00  0.00           H  
HETATM   94  H   UNL     1       2.423  -0.963 -12.058  1.00  0.00           H  
HETATM   95  H   UNL     1       1.794   2.017 -11.869  1.00  0.00           H  
HETATM   96  H   UNL     1       0.756  -0.104 -13.571  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.027   0.542 -12.311  1.00  0.00           H  
HETATM   98  H   UNL     1       3.357   3.299 -12.969  1.00  0.00           H  
HETATM   99  H   UNL     1       5.068   3.597 -14.714  1.00  0.00           H  
HETATM  100  H   UNL     1       4.450  -0.432 -15.996  1.00  0.00           H  
HETATM  101  H   UNL     1       2.745  -0.723 -14.245  1.00  0.00           H  
HETATM  102  H   UNL     1       6.658   1.507 -16.036  1.00  0.00           H  
HETATM  103  H   UNL     1       0.106  -3.864  -8.631  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.627  -2.438  -2.505  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.126  -1.585  -2.940  1.00  0.00           H  
HETATM  106  H   UNL     1       0.205  -3.892  -2.674  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.948  -4.257  -3.750  1.00  0.00           H  
HETATM  108  HXT UNL     1      -6.465   0.055  -4.999  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.358  -1.332   1.580  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.481  -0.644   0.406  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.767   2.662   3.202  1.00  0.00           H  
HETATM  112  H   UNL     1       5.801  -0.449  20.258  1.00  0.00           H  
HETATM  113  H   UNL     1       4.543  -0.305  22.185  1.00  0.00           H  
HETATM  114  H   UNL     1       2.880  -0.098  22.060  1.00  0.00           H  
CONECT    1    2   30   56                                            
CONECT    2    1    3   57   58                                       
CONECT    3    2    4   42   59                                       
CONECT    4    3    5   43   43                                       
CONECT    5    4    6   60                                            
CONECT    6    5    7   45   61                                       
CONECT    7    6    8   44   44                                       
CONECT    8    7    9   62                                            
CONECT    9    8   10   47   63                                       
CONECT   10    9   11   64   65                                       
CONECT   11   10   12   66   67                                       
CONECT   12   11   13   68   69                                       
CONECT   13   12   14   50   70                                       
CONECT   14   13   15   51   71                                       
CONECT   15   14   16   72   73                                       
CONECT   16   15   17   52   52                                       
CONECT   17   16   18   74                                            
CONECT   18   17   19   75   76                                       
CONECT   19   18   20   53   53                                       
CONECT   20   19   21   77                                            
CONECT   21   20   22   78   79                                       
CONECT   22   21   23   80   81                                       
CONECT   23   22   24   82   83                                       
CONECT   24   23   25   84                                            
CONECT   25   24   26   85   86                                       
CONECT   26   25   27   87   88                                       
CONECT   27   26   28   89   90                                       
CONECT   28   27   29   91   92                                       
CONECT   29   28   54   54   55                                       
CONECT   30    1   31   41   41                                       
CONECT   31   30   32   93   94                                       
CONECT   32   31   33   34   95                                       
CONECT   33   32   96   97                                            
CONECT   34   32   35   35   39                                       
CONECT   35   34   34   36   98                                       
CONECT   36   35   37   37   99                                       
CONECT   37   36   36   38   40                                       
CONECT   38   37   39   39  100                                       
CONECT   39   34   38   38  101                                       
CONECT   40   37  102                                                 
CONECT   41   30   30                                                 
CONECT   42    3  103                                                 
CONECT   43    4    4                                                 
CONECT   44    7    7                                                 
CONECT   45    6   46  104  105                                       
CONECT   46   45  106  107                                            
CONECT   47    9   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47  108                                                 
CONECT   50   13  109  110                                            
CONECT   51   14  111                                                 
CONECT   52   16   16                                                 
CONECT   53   19   19                                                 
CONECT   54   29   29  112                                            
CONECT   55   29  113  114                                            
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   42                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
