COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.638  -0.449   1.120  1.00  0.00           O  
HETATM    2  C   UNL     1       0.780   0.186   0.096  1.00  0.00           C  
HETATM    3  N   UNL     1       1.990   0.250  -0.494  1.00  0.00           N  
HETATM    4  C   UNL     1       3.133  -0.447   0.101  1.00  0.00           C  
HETATM    5  C   UNL     1       3.144  -1.903  -0.369  1.00  0.00           C  
HETATM    6  C   UNL     1       1.906  -2.622   0.171  1.00  0.00           C  
HETATM    7  C   UNL     1       1.917  -4.078  -0.299  1.00  0.00           C  
HETATM    8  C   UNL     1       0.679  -4.797   0.240  1.00  0.00           C  
HETATM    9  N   UNL     1       0.689  -6.195  -0.211  1.00  0.00           N  
HETATM   10  C   UNL     1       4.411   0.229  -0.326  1.00  0.00           C  
HETATM   11  N   UNL     1       5.598  -0.243   0.103  1.00  0.00           N  
HETATM   12  C   UNL     1       6.840   0.413  -0.313  1.00  0.00           C  
HETATM   13  C   UNL     1       8.034  -0.314   0.309  1.00  0.00           C  
HETATM   14  C   UNL     1       9.332   0.371  -0.125  1.00  0.00           C  
HETATM   15  C   UNL     1      10.529  -0.428   0.393  1.00  0.00           C  
HETATM   16  C   UNL     1      11.826   0.257  -0.040  1.00  0.00           C  
HETATM   17  C   UNL     1      11.871   1.674   0.535  1.00  0.00           C  
HETATM   18  C   UNL     1      10.674   2.474   0.017  1.00  0.00           C  
HETATM   19  C   UNL     1       9.377   1.788   0.451  1.00  0.00           C  
HETATM   20  O   UNL     1       4.371   1.197  -1.056  1.00  0.00           O  
HETATM   21  CA  UNL     1      -0.397   0.897  -0.519  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.106   2.398  -0.591  1.00  0.00           C  
HETATM   23  O   UNL     1       0.234   2.880   0.711  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.589   0.670   0.302  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.815   0.751  -0.253  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.931   1.011  -1.432  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.041   0.517   0.592  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.293   0.666  -0.275  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.538   0.428   0.583  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.790   0.578  -0.283  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.035   0.340   0.574  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.287   0.490  -0.292  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.531   0.252   0.565  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.784   0.402  -0.301  1.00  0.00           C  
HETATM   35  C   UNL     1     -14.028   0.164   0.556  1.00  0.00           C  
HETATM   36  O   UNL     1     -15.198   0.304  -0.253  1.00  0.00           O  
HETATM   37  H   UNL     1       2.104   0.758  -1.313  1.00  0.00           H  
HETATM   38  HA  UNL     1      -0.570   0.512  -1.524  1.00  0.00           H  
HETATM   39  H   UNL     1       3.052  -0.416   1.188  1.00  0.00           H  
HETATM   40  H   UNL     1       3.136  -1.933  -1.458  1.00  0.00           H  
HETATM   41  H   UNL     1       4.042  -2.397   0.002  1.00  0.00           H  
HETATM   42  H   UNL     1       1.914  -2.592   1.260  1.00  0.00           H  
HETATM   43  H   UNL     1       1.008  -2.127  -0.200  1.00  0.00           H  
HETATM   44  H   UNL     1       1.909  -4.108  -1.389  1.00  0.00           H  
HETATM   45  H   UNL     1       2.815  -4.573   0.071  1.00  0.00           H  
HETATM   46  H   UNL     1       0.687  -4.767   1.330  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.219  -4.302  -0.130  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.119  -6.692   0.132  1.00  0.00           H  
HETATM   49  H   UNL     1       0.747  -6.250  -1.217  1.00  0.00           H  
HETATM   50  H   UNL     1       5.631  -1.017   0.686  1.00  0.00           H  
HETATM   51  H   UNL     1       6.922   0.383  -1.399  1.00  0.00           H  
HETATM   52  H   UNL     1       6.833   1.451   0.022  1.00  0.00           H  
HETATM   53  H   UNL     1       7.953  -0.284   1.395  1.00  0.00           H  
HETATM   54  H   UNL     1       8.042  -1.352  -0.026  1.00  0.00           H  
HETATM   55  H   UNL     1       9.371   0.420  -1.213  1.00  0.00           H  
HETATM   56  H   UNL     1      10.490  -0.477   1.482  1.00  0.00           H  
HETATM   57  H   UNL     1      10.497  -1.438  -0.017  1.00  0.00           H  
HETATM   58  H   UNL     1       8.524   2.358   0.082  1.00  0.00           H  
HETATM   59  H   UNL     1       9.338   1.740   1.539  1.00  0.00           H  
HETATM   60  H   UNL     1      12.679  -0.312   0.329  1.00  0.00           H  
HETATM   61  H   UNL     1      11.865   0.306  -1.129  1.00  0.00           H  
HETATM   62  H   UNL     1      11.832   1.626   1.623  1.00  0.00           H  
HETATM   63  H   UNL     1      12.795   2.163   0.226  1.00  0.00           H  
HETATM   64  H   UNL     1      10.706   3.483   0.427  1.00  0.00           H  
HETATM   65  H   UNL     1      10.713   2.522  -1.071  1.00  0.00           H  
HETATM   66  H1  UNL     1       0.726   2.574  -1.273  1.00  0.00           H  
HETATM   67  H2  UNL     1      -0.990   2.923  -0.953  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.496   0.462   1.245  1.00  0.00           H  
HETATM   69  H   UNL     1       0.432   3.826   0.741  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.007  -0.489   1.011  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.069   1.247   1.401  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.327   1.672  -0.694  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.264  -0.064  -1.084  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.504  -0.577   1.002  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.566   1.158   1.392  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.824   1.584  -0.703  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.761  -0.152  -1.092  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.000  -0.665   0.993  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.063   1.071   1.383  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.321   1.495  -0.711  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.258  -0.240  -1.101  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.497  -0.753   0.984  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.560   0.982   1.374  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.818   1.407  -0.720  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.755  -0.328  -1.110  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.994  -0.841   0.975  1.00  0.00           H  
HETATM   87  H   UNL     1     -14.057   0.894   1.365  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.026   0.166   0.226  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   21                                       
CONECT    3    2    4   37                                            
CONECT    4    3    5   10   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    5    7   42   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7    9   46   47                                       
CONECT    9    8   48   49                                            
CONECT   10    4   11   20   20                                       
CONECT   11   10   12   50                                            
CONECT   12   11   13   51   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   15   19   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   19   64   65                                       
CONECT   19   14   18   58   59                                       
CONECT   20   10   10                                                 
CONECT   21    2   22   24   38                                       
CONECT   22   21   23   66   67                                       
CONECT   23   22   69                                                 
CONECT   24   21   25   68                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   70   71                                       
CONECT   28   27   29   72   73                                       
CONECT   29   28   30   74   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   78   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   34   36   86   87                                       
CONECT   36   35   88                                                 
CONECT   37    3                                                      
CONECT   38   21                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   23                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
