COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       2.511  -0.038  -0.332  1.00  0.00           C  
HETATM    2  C   UNL     1       0.079   0.409  -0.687  1.00  0.00           C  
HETATM    3  C   UNL     1       0.174   1.859  -0.265  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.922   1.136   0.242  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.242   1.059   0.681  1.00  0.00           C  
HETATM    6  N   UNL     1       2.722  -0.366  -1.748  1.00  0.00           N  
HETATM    7  C   UNL     1       1.094  -0.441   0.080  1.00  0.00           C  
HETATM    8  C   UNL     1       3.511  -0.786   0.511  1.00  0.00           C  
HETATM    9  O   UNL     1       4.063  -1.765   0.067  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.332   0.010  -0.318  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.033  -1.168  -0.442  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.349  -1.238  -0.004  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.047  -2.399  -0.123  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.948  -0.120   0.557  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.016   2.199   0.258  1.00  0.00           N  
HETATM   16  O   UNL     1       1.144   2.580  -0.378  1.00  0.00           O  
HETATM   17  HA  UNL     1       2.641   1.035  -0.184  1.00  0.00           H  
HETATM   18  H   UNL     1       0.234   0.313  -1.762  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.715   1.926   1.119  1.00  0.00           H  
HETATM   20  H1  UNL     1       2.606  -1.355  -1.911  1.00  0.00           H  
HETATM   21  H2  UNL     1       2.106   0.172  -2.339  1.00  0.00           H  
HETATM   22  H   UNL     1       0.934  -1.494  -0.150  1.00  0.00           H  
HETATM   23  H   UNL     1       0.967  -0.280   1.151  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.561  -2.035  -0.880  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.969  -2.985   0.642  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.971  -0.173   0.899  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.221   3.080   0.608  1.00  0.00           H  
HETATM   28  OXT UNL     1       3.789  -0.365   1.755  1.00  0.00           O  
HETATM   29  HXT UNL     1       4.437  -0.878   2.258  1.00  0.00           H  
CONECT    1    6    7    8   17                                       
CONECT    2    3   10    7   18                                       
CONECT    3   16   16    2   15                                       
CONECT    4   10   15    5    5                                       
CONECT    5    4    4   14   19                                       
CONECT    6    1   20   21                                            
CONECT    7    2    1   22   23                                       
CONECT    8    1    9    9   28                                       
CONECT    9    8    8                                                 
CONECT   10    2   11   11    4                                       
CONECT   11   10   10   12   24                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   25                                                 
CONECT   14   12   12    5   26                                       
CONECT   15    3    4   27                                            
CONECT   16    3    3                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24   11                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28    8   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
