COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.629   0.233   0.372  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.353  -0.948  -0.041  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.450  -1.955  -0.094  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.485  -2.941  -0.942  1.00  0.00           N  
HETATM    5  N   UNL     1      -6.490  -1.787   0.878  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.616  -2.826   1.427  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.331  -2.902   0.599  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.418  -3.987   1.173  1.00  0.00           C  
HETATM    9  CA  UNL     1      -2.134  -4.063   0.345  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.455  -4.506  -1.019  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.183  -5.044   0.981  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.442  -4.673   2.036  1.00  0.00           O  
HETATM   13  OXT UNL     1      -1.089  -6.166   0.541  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.506  -0.367   1.261  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.296   0.288   0.889  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.384   0.732  -0.466  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.788   2.136  -0.590  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.383   2.081  -0.334  1.00  0.00           O  
HETATM   19  P   UNL     1      -2.432   3.379  -0.378  1.00  0.00           P  
HETATM   20  O   UNL     1      -2.856   4.395   0.797  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.577   4.052  -1.688  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.900   2.929  -0.172  1.00  0.00           O  
HETATM   23  P   UNL     1       0.519   3.652  -0.408  1.00  0.00           P  
HETATM   24  O   UNL     1       0.840   3.701  -1.985  1.00  0.00           O  
HETATM   25  O   UNL     1       0.466   5.031   0.128  1.00  0.00           O  
HETATM   26  O   UNL     1       1.675   2.826   0.349  1.00  0.00           O  
HETATM   27  C   UNL     1       3.032   3.269   0.417  1.00  0.00           C  
HETATM   28  C   UNL     1       3.861   2.254   1.206  1.00  0.00           C  
HETATM   29  O   UNL     1       3.938   1.016   0.481  1.00  0.00           O  
HETATM   30  C   UNL     1       5.238   0.450   0.749  1.00  0.00           C  
HETATM   31  C   UNL     1       6.181   1.680   0.724  1.00  0.00           C  
HETATM   32  O   UNL     1       7.356   1.439   1.500  1.00  0.00           O  
HETATM   33  C   UNL     1       5.302   2.775   1.377  1.00  0.00           C  
HETATM   34  O   UNL     1       5.623   2.913   2.762  1.00  0.00           O  
HETATM   35  N   UNL     1       5.610  -0.506  -0.297  1.00  0.00           N  
HETATM   36  C   UNL     1       5.130  -0.534  -1.573  1.00  0.00           C  
HETATM   37  N   UNL     1       5.676  -1.514  -2.232  1.00  0.00           N  
HETATM   38  C   UNL     1       6.538  -2.177  -1.424  1.00  0.00           C  
HETATM   39  C   UNL     1       6.510  -1.535  -0.175  1.00  0.00           C  
HETATM   40  N   UNL     1       7.283  -1.994   0.805  1.00  0.00           N  
HETATM   41  C   UNL     1       8.066  -3.033   0.610  1.00  0.00           C  
HETATM   42  N   UNL     1       8.128  -3.667  -0.547  1.00  0.00           N  
HETATM   43  C   UNL     1       7.387  -3.286  -1.581  1.00  0.00           C  
HETATM   44  N   UNL     1       7.460  -3.955  -2.790  1.00  0.00           N  
HETATM   45  C   UNL     1      -6.867   0.762  -0.864  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.096  -0.089  -1.988  1.00  0.00           O  
HETATM   47  H   UNL     1      -8.247   0.976   0.877  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.196  -2.991  -1.599  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.368  -2.584   2.460  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.128  -3.788   1.391  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.579  -3.144  -0.435  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.819  -1.940   0.634  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.171  -3.745   2.206  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.930  -4.949   1.137  1.00  0.00           H  
HETATM   55  HA  UNL     1      -1.668  -3.078   0.307  1.00  0.00           H  
HETATM   56  H1  UNL     1      -2.888  -5.417  -1.010  1.00  0.00           H  
HETATM   57  H2  UNL     1      -3.040  -3.831  -1.489  1.00  0.00           H  
HETATM   58  H   UNL     1       0.154  -5.337   2.410  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.727  -0.244   2.321  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.843   0.044  -1.115  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.959   2.516  -1.597  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.263   2.797   0.135  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.785   4.019   1.686  1.00  0.00           H  
HETATM   64  H   UNL     1       0.890   2.831  -2.404  1.00  0.00           H  
HETATM   65  H   UNL     1       3.435   3.362  -0.592  1.00  0.00           H  
HETATM   66  H   UNL     1       3.073   4.238   0.915  1.00  0.00           H  
HETATM   67  H   UNL     1       3.408   2.085   2.182  1.00  0.00           H  
HETATM   68  H   UNL     1       5.255  -0.027   1.729  1.00  0.00           H  
HETATM   69  H   UNL     1       6.442   1.949  -0.300  1.00  0.00           H  
HETATM   70  H   UNL     1       7.976   2.180   1.515  1.00  0.00           H  
HETATM   71  H   UNL     1       5.428   3.725   0.858  1.00  0.00           H  
HETATM   72  H   UNL     1       6.518   3.237   2.928  1.00  0.00           H  
HETATM   73  H   UNL     1       4.404   0.156  -1.977  1.00  0.00           H  
HETATM   74  H   UNL     1       8.682  -3.381   1.427  1.00  0.00           H  
HETATM   75  H   UNL     1       6.921  -3.661  -3.541  1.00  0.00           H  
HETATM   76  H   UNL     1       8.049  -4.719  -2.887  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.177   1.782  -1.091  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.643   0.193  -2.794  1.00  0.00           H  
CONECT    1    2   14   45   47                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   48                                            
CONECT    5    3    6   14                                            
CONECT    6    5    7   49   50                                       
CONECT    7    6    8   51   52                                       
CONECT    8    7    9   53   54                                       
CONECT    9    8   10   11   55                                       
CONECT   10    9   56   57                                            
CONECT   11    9   12   13   13                                       
CONECT   12   11   58                                                 
CONECT   13   11   11                                                 
CONECT   14    5   15    1   59                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   45   60                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22                                                      
CONECT   20   19   63                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   25   25                                       
CONECT   23   26                                                      
CONECT   24   23   64                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   65   66                                       
CONECT   28   27   29   33   67                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   35   68                                       
CONECT   31   30   32   33   69                                       
CONECT   32   31   70                                                 
CONECT   33   31   34   28   71                                       
CONECT   34   33   72                                                 
CONECT   35   30   36   39                                            
CONECT   36   35   37   37   73                                       
CONECT   37   36   36   38                                            
CONECT   38   37   39   39   43                                       
CONECT   39   38   38   40   35                                       
CONECT   40   39   41   41                                            
CONECT   41   40   40   42   74                                       
CONECT   42   41   43   43                                            
CONECT   43   42   42   44   38                                       
CONECT   44   43   75   76                                            
CONECT   45   16   46    1   77                                       
CONECT   46   45   78                                                 
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   41                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
