COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.602   5.138  -4.246  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.992   3.753  -4.156  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.305   2.920  -5.228  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.055   3.350  -6.349  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.534   3.615  -4.237  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.025   2.236  -4.091  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.184   1.431  -5.191  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.378   1.576  -2.938  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.621   0.319  -4.693  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.763   0.332  -3.350  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.585   0.496  -7.967  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.861  -0.835  -7.741  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.321  -1.588  -8.596  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.533  -1.277  -6.325  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.437  -2.286  -6.353  1.00  0.00           N1+
HETATM   16  C   UNL     1      -0.090  -2.745  -4.933  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.857  -3.515  -7.168  1.00  0.00           C  
HETATM   18  C   UNL     1       0.825  -1.694  -6.990  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.773  -1.876  -5.649  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.964  -0.922  -5.479  1.00  0.00           C  
HETATM   21  OXT UNL     1       0.020   1.661  -4.849  1.00  0.00           O  
HETATM   22  H1  UNL     1      -0.164   5.469  -5.089  1.00  0.00           H  
HETATM   23  H2  UNL     1      -0.585   5.695  -3.408  1.00  0.00           H  
HETATM   24  HA  UNL     1      -0.624   3.394  -3.188  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.989   4.264  -3.460  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.876   4.073  -5.191  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.391   1.865  -1.897  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.086  -0.420  -2.756  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.203   1.101  -7.247  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.757   0.918  -8.873  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.140  -0.420  -5.769  1.00  0.00           H  
HETATM   32  H   UNL     1       0.865  -3.272  -4.976  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.020  -1.857  -4.302  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.889  -3.407  -4.591  1.00  0.00           H  
HETATM   35  H   UNL     1       0.051  -4.031  -7.486  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.464  -4.152  -6.522  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.431  -3.165  -8.028  1.00  0.00           H  
HETATM   38  H   UNL     1       1.382  -1.174  -6.208  1.00  0.00           H  
HETATM   39  H   UNL     1       1.408  -2.518  -7.405  1.00  0.00           H  
HETATM   40  H   UNL     1       0.511  -1.002  -7.774  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.113  -2.745  -6.229  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.491  -2.274  -4.665  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.765  -1.458  -4.952  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.385  -0.658  -6.456  1.00  0.00           H  
HETATM   45  HXT UNL     1       0.467   1.126  -5.537  1.00  0.00           H  
CONECT    1    2   22   23                                            
CONECT    2    1    3    5   24                                       
CONECT    3    2    4    4   21                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   25   26                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6    9    9                                            
CONECT    8    6    6   10   27                                       
CONECT    9    7    7   10   20                                       
CONECT   10    8    9   28                                            
CONECT   11   12   29   30                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   19   31                                       
CONECT   15   14   16   17   18                                       
CONECT   16   15   32   33   34                                       
CONECT   17   15   35   36   37                                       
CONECT   18   15   38   39   40                                       
CONECT   19   14   20   41   42                                       
CONECT   20    9   19   43   44                                       
CONECT   21    3   45                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   14                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
