COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.943  -0.172  -0.068  1.00  0.00           C  
HETATM    2  N   UNL     1       2.460   1.586  -0.851  1.00  0.00           N  
HETATM    3  O   UNL     1       4.638   0.705   0.387  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.559   0.147  -0.571  1.00  0.00           C  
HETATM    5  C   UNL     1       1.528  -0.238   0.492  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.913  -0.415   0.997  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.301  -0.210   0.448  1.00  0.00           C  
HETATM    8  C   UNL     1       0.118  -0.030  -0.066  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.765   0.153  -0.525  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.114  -1.062  -0.676  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.109   1.173   0.146  1.00  0.00           C  
HETATM   12  OXT UNL     1       4.405  -1.431  -0.131  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.895  -1.204  -0.181  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.891   0.957   0.614  1.00  0.00           N  
HETATM   15  H1  UNL     1       1.562   1.816  -1.250  1.00  0.00           H  
HETATM   16  HA  UNL     1       2.365  -0.414  -1.485  1.00  0.00           H  
HETATM   17  H   UNL     1      -5.758   0.301  -0.922  1.00  0.00           H  
HETATM   18  H   UNL     1       1.660  -1.285   0.764  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.775   0.210   1.880  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.014   1.017  -0.338  1.00  0.00           H  
HETATM   21  H   UNL     1       1.665   0.387   1.374  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.780  -1.462   1.269  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.019  -0.655  -0.948  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.594  -1.879  -1.193  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.585   2.133   0.282  1.00  0.00           H  
HETATM   26  H2  UNL     1       2.635   2.129  -0.019  1.00  0.00           H  
HETATM   27  HXT UNL     1       5.299  -1.587   0.204  1.00  0.00           H  
CONECT    1    4    3    3   12                                       
CONECT    2   15    4   26                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   16    5                                       
CONECT    5    4   21    8   18                                       
CONECT    6   22    7    8   19                                       
CONECT    7    6   13   14   14                                       
CONECT    8    5    6   23   20                                       
CONECT    9   10   17   11   11                                       
CONECT   10    9   24   13   13                                       
CONECT   11    9    9   14   25                                       
CONECT   12    1   27                                                 
CONECT   13    7   10   10                                            
CONECT   14    7    7   11                                            
CONECT   15    2                                                      
CONECT   16    4                                                      
CONECT   17    9                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    8                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26    2                                                      
CONECT   27   12                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
