COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.485   1.857  -0.463  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.432  -2.499  -0.302  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.288  -1.293   0.091  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.559  -0.799   0.373  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.786   0.559   0.372  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.759   1.449   0.093  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.489   0.983  -0.190  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.245  -0.396  -0.192  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.812   3.248  -0.442  1.00  0.00           C  
HETATM   10  C   UNL     1       3.497   0.004   0.156  1.00  0.00           C  
HETATM   11  CA  UNL     1       2.079  -0.377   0.495  1.00  0.00           C  
HETATM   12  C   UNL     1       1.321  -0.719  -0.789  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.058  -1.217  -0.442  1.00  0.00           C  
HETATM   14  N   UNL     1       1.417   0.748   1.169  1.00  0.00           N  
HETATM   15  O   UNL     1       3.813   1.169   0.104  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.762  -2.564   0.016  1.00  0.00           N  
HETATM   17  H   UNL     1       0.218  -3.352  -0.427  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.367  -1.482   0.592  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.774   0.935   0.591  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.953   2.512   0.095  1.00  0.00           H  
HETATM   21  H   UNL     1       0.077   3.833  -0.677  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.586   3.451  -1.182  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.175   3.521   0.549  1.00  0.00           H  
HETATM   24  HA  UNL     1       2.083  -1.244   1.156  1.00  0.00           H  
HETATM   25  H   UNL     1       1.239   0.173  -1.411  1.00  0.00           H  
HETATM   26  H   UNL     1       1.861  -1.493  -1.334  1.00  0.00           H  
HETATM   27  H1  UNL     1       1.399   1.565   0.577  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.260  -3.383   0.167  1.00  0.00           H  
HETATM   29  OXT UNL     1       4.408  -0.950  -0.087  1.00  0.00           O  
HETATM   30  HXT UNL     1       5.305  -0.657  -0.301  1.00  0.00           H  
HETATM   31  H2  UNL     1       0.486   0.496   1.464  1.00  0.00           H  
CONECT    1    7    9                                                 
CONECT    2   13   13   16   17                                       
CONECT    3   16    8    8    4                                       
CONECT    4    3    5    5   18                                       
CONECT    5    4    4    6   19                                       
CONECT    6    7    7    5   20                                       
CONECT    7    8    1    6    6                                       
CONECT    8   13    3    3    7                                       
CONECT    9    1   21   22   23                                       
CONECT   10   15   15   11   29                                       
CONECT   11   10   12   14   24                                       
CONECT   12   11   13   25   26                                       
CONECT   13   12    2    2    8                                       
CONECT   14   11   27   31                                            
CONECT   15   10   10                                                 
CONECT   16    2    3   28                                            
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    9                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   16                                                      
CONECT   29   10   30                                                 
CONECT   30   29                                                      
CONECT   31   14                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
