COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.487   0.739   0.092  1.00  0.00           N  
HETATM    2  N   UNL     1       8.988   3.824  -0.017  1.00  0.00           N  
HETATM    3  C   UNL     1       0.327   1.882  -0.007  1.00  0.00           C  
HETATM    4  C   UNL     1       1.196   0.770  -0.599  1.00  0.00           C  
HETATM    5  C   UNL     1       3.483   1.557  -0.303  1.00  0.00           C  
HETATM    6  C   UNL     1       4.788   1.526   0.396  1.00  0.00           C  
HETATM    7  C   UNL     1       5.008   0.655   1.468  1.00  0.00           C  
HETATM    8  C   UNL     1       7.044   2.301   0.689  1.00  0.00           C  
HETATM    9  C   UNL     1       0.501  -0.556  -0.425  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.897  -1.855  -0.952  1.00  0.00           C  
HETATM   11  CA  UNL     1      -5.199   0.156   1.353  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.259   1.388  -1.527  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.983   2.290  -2.536  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.584   3.972  -1.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.473  -0.703   2.561  1.00  0.00           C  
HETATM   16  C   UNL     1       0.569  -3.311  -1.666  1.00  0.00           C  
HETATM   17  C   UNL     1       2.534  -4.211  -0.897  1.00  0.00           C  
HETATM   18  C   UNL     1       0.748   5.710   0.012  1.00  0.00           C  
HETATM   19  C   UNL     1       0.104   4.352   0.298  1.00  0.00           C  
HETATM   20  C   UNL     1       0.972   3.240  -0.293  1.00  0.00           C  
HETATM   21  O   UNL     1       3.309   2.320  -1.232  1.00  0.00           O  
HETATM   22  C   UNL     1       6.241   0.654   2.096  1.00  0.00           C  
HETATM   23  N   UNL     1       7.205   1.457   1.701  1.00  0.00           N  
HETATM   24  C   UNL     1       5.835   2.361  -0.001  1.00  0.00           C  
HETATM   25  C   UNL     1       8.128   3.150   0.295  1.00  0.00           C  
HETATM   26  O   UNL     1       1.032  -1.440   0.213  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.711  -0.759  -0.979  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.386  -2.049  -0.811  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.400  -0.991   0.176  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.626  -0.571   1.010  1.00  0.00           O  
HETATM   31  N   UNL     1      -4.710  -0.684   0.257  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.489   0.856   0.922  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.191   1.808  -0.207  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.658   3.537  -2.256  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.841   3.125   0.048  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.280  -1.895   2.511  1.00  0.00           O  
HETATM   37  OXT UNL     1      -5.932  -0.144   3.692  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.895  -3.025  -1.881  1.00  0.00           C  
HETATM   39  C   UNL     1       1.600  -2.689  -2.261  1.00  0.00           C  
HETATM   40  N   UNL     1       2.782  -3.214  -1.814  1.00  0.00           N  
HETATM   41  C   UNL     1       3.355  -5.052  -0.152  1.00  0.00           C  
HETATM   42  C   UNL     1       2.793  -5.974   0.704  1.00  0.00           C  
HETATM   43  C   UNL     1       1.414  -6.073   0.831  1.00  0.00           C  
HETATM   44  C   UNL     1       0.590  -5.258   0.108  1.00  0.00           C  
HETATM   45  C   UNL     1       1.138  -4.316  -0.765  1.00  0.00           C  
HETATM   46  H   UNL     1       2.624   0.133   0.837  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.664   1.849  -0.460  1.00  0.00           H  
HETATM   48  H   UNL     1       0.240   1.741   1.070  1.00  0.00           H  
HETATM   49  H   UNL     1       1.356   0.960  -1.660  1.00  0.00           H  
HETATM   50  H   UNL     1       4.224  -0.009   1.803  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.114  -1.372  -1.904  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.392  -2.825  -0.915  1.00  0.00           H  
HETATM   53  HA  UNL     1      -4.446   0.903   1.602  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.528   0.369  -1.763  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.034   1.971  -3.567  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.311   4.999  -0.823  1.00  0.00           H  
HETATM   57  H   UNL     1       1.740   5.743   0.464  1.00  0.00           H  
HETATM   58  H   UNL     1       0.836   5.851  -1.065  1.00  0.00           H  
HETATM   59  H   UNL     1       0.130   6.502   0.433  1.00  0.00           H  
HETATM   60  H   UNL     1       0.017   4.211   1.375  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.888   4.318  -0.154  1.00  0.00           H  
HETATM   62  H   UNL     1       1.963   3.274   0.159  1.00  0.00           H  
HETATM   63  H   UNL     1       1.059   3.381  -1.371  1.00  0.00           H  
HETATM   64  H   UNL     1       6.416  -0.017   2.925  1.00  0.00           H  
HETATM   65  H   UNL     1       5.706   3.048  -0.825  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.135  -0.052  -1.490  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.161  -2.450   0.178  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.329  -1.020  -0.410  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.213   0.112   0.589  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.901   1.411   1.766  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.778   3.487   1.064  1.00  0.00           H  
HETATM   72  HXT UNL     1      -6.093  -0.736   4.440  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.038  -2.586  -2.868  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.460  -3.955  -1.812  1.00  0.00           H  
HETATM   75  H   UNL     1       1.509  -1.893  -2.985  1.00  0.00           H  
HETATM   76  H   UNL     1       3.663  -2.926  -2.100  1.00  0.00           H  
HETATM   77  H   UNL     1       4.429  -4.983  -0.244  1.00  0.00           H  
HETATM   78  H   UNL     1       3.431  -6.626   1.281  1.00  0.00           H  
HETATM   79  H   UNL     1       0.989  -6.801   1.506  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.482  -5.341   0.213  1.00  0.00           H  
CONECT    1    5    4   46                                            
CONECT    2   25   25   25                                            
CONECT    3    4   20   47   48                                       
CONECT    4    1    3    9   49                                       
CONECT    5    6   21   21    1                                       
CONECT    6   24   24    7    5                                       
CONECT    7   22   22    6   50                                       
CONECT    8   25   23   23   24                                       
CONECT    9    4   27   26   26                                       
CONECT   10   29   28   51   52                                       
CONECT   11   32   15   31   53                                       
CONECT   12   13   33   33   54                                       
CONECT   13   34   34   12   55                                       
CONECT   14   34   35   35   56                                       
CONECT   15   11   36   36   37                                       
CONECT   16   38   45   39   39                                       
CONECT   17   45   45   40   41                                       
CONECT   18   19   57   58   59                                       
CONECT   19   20   18   60   61                                       
CONECT   20    3   19   62   63                                       
CONECT   21    5    5                                                 
CONECT   22   23    7    7   64                                       
CONECT   23    8    8   22                                            
CONECT   24    8    6    6   65                                       
CONECT   25    2    2    2    8                                       
CONECT   26    9    9                                                 
CONECT   27   28    9   66                                            
CONECT   28   10   27   38   67                                       
CONECT   29   31   30   30   10                                       
CONECT   30   29   29                                                 
CONECT   31   11   29   68                                            
CONECT   32   33   11   69   70                                       
CONECT   33   12   12   35   32                                       
CONECT   34   13   13   14                                            
CONECT   35   14   14   33   71                                       
CONECT   36   15   15                                                 
CONECT   37   15   72                                                 
CONECT   38   28   16   73   74                                       
CONECT   39   16   16   40   75                                       
CONECT   40   39   17   76                                            
CONECT   41   42   42   17   77                                       
CONECT   42   43   41   41   78                                       
CONECT   43   44   44   42   79                                       
CONECT   44   43   43   45   80                                       
CONECT   45   44   16   17   17                                       
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
