COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.012  -2.322   0.581  1.00  0.00           C  
HETATM    2  CA  UNL     1      -0.941  -0.170   0.284  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.085   0.749  -0.060  1.00  0.00           C  
HETATM    4  C   UNL     1       0.362   0.407  -0.273  1.00  0.00           C  
HETATM    5  C   UNL     1       1.538  -0.459   0.182  1.00  0.00           C  
HETATM    6  C   UNL     1       2.842   0.117  -0.376  1.00  0.00           C  
HETATM    7  C   UNL     1       3.093   1.496   0.238  1.00  0.00           C  
HETATM    8  C   UNL     1       4.003  -0.816  -0.026  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.182  -1.494  -0.305  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.734   0.557  -1.061  1.00  0.00           O  
HETATM   11  H   UNL     1      -1.470  -2.519   1.505  1.00  0.00           H  
HETATM   12  H   UNL     1      -2.938  -1.794   0.808  1.00  0.00           H  
HETATM   13  H   UNL     1      -2.242  -3.265   0.086  1.00  0.00           H  
HETATM   14  HA  UNL     1      -0.863  -0.263   1.367  1.00  0.00           H  
HETATM   15  H   UNL     1       0.318   0.417  -1.362  1.00  0.00           H  
HETATM   16  H   UNL     1       0.496   1.424   0.095  1.00  0.00           H  
HETATM   17  H   UNL     1       1.582  -0.470   1.271  1.00  0.00           H  
HETATM   18  H   UNL     1       1.405  -1.477  -0.187  1.00  0.00           H  
HETATM   19  H   UNL     1       2.764   0.211  -1.459  1.00  0.00           H  
HETATM   20  H   UNL     1       3.171   1.403   1.321  1.00  0.00           H  
HETATM   21  H   UNL     1       4.021   1.907  -0.159  1.00  0.00           H  
HETATM   22  H   UNL     1       2.266   2.161  -0.011  1.00  0.00           H  
HETATM   23  H   UNL     1       3.824  -1.798  -0.464  1.00  0.00           H  
HETATM   24  H   UNL     1       4.931  -0.405  -0.423  1.00  0.00           H  
HETATM   25  H   UNL     1       4.081  -0.909   1.057  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.601  -1.412  -1.220  1.00  0.00           H  
HETATM   27  OXT UNL     1      -2.383   1.780   0.746  1.00  0.00           O  
HETATM   28  HXT UNL     1      -3.125   2.342   0.483  1.00  0.00           H  
CONECT    1    9   11   12   13                                       
CONECT    2    3    9    4   14                                       
CONECT    3    2   10   10   27                                       
CONECT    4    2    5   15   16                                       
CONECT    5    4    6   17   18                                       
CONECT    6    5    8    7   19                                       
CONECT    7    6   20   21   22                                       
CONECT    8    6   23   24   25                                       
CONECT    9    2    1   26                                            
CONECT   10    3    3                                                 
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27    3   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
