COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       3.284   0.077  -0.654  1.00  0.00           C  
HETATM    2  C   UNL     1       4.206   0.535   0.446  1.00  0.00           C  
HETATM    3  C   UNL     1       1.836   0.135  -0.163  1.00  0.00           C  
HETATM    4  C   UNL     1       0.911  -0.447  -1.234  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.524  -0.278  -0.804  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.142  -1.262  -0.056  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.458  -1.107   0.338  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.155   0.033  -0.016  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.537   1.018  -0.763  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.219   0.865  -1.154  1.00  0.00           C  
HETATM   11  N   UNL     1       3.618  -1.304  -1.029  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.564   0.199   0.406  1.00  0.00           N1+
HETATM   13  OXT UNL     1       4.373   1.847   0.678  1.00  0.00           O  
HETATM   14  O   UNL     1       4.795  -0.277   1.119  1.00  0.00           O  
HETATM   15  O   UNL     1       1.710  -0.625   1.040  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.179   1.204   0.094  1.00  0.00           O  
HETATM   17  O   UNL     1      -5.109  -0.668   1.064  1.00  0.00           O1-
HETATM   18  HA  UNL     1       3.401   0.727  -1.521  1.00  0.00           H  
HETATM   19  H   UNL     1       1.560   1.172   0.031  1.00  0.00           H  
HETATM   20  H   UNL     1       1.072   0.076  -2.177  1.00  0.00           H  
HETATM   21  H   UNL     1       1.128  -1.507  -1.365  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.597  -2.153   0.220  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.941  -1.876   0.922  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.082   1.908  -1.040  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.735   1.636  -1.734  1.00  0.00           H  
HETATM   26  H1  UNL     1       3.518  -1.927  -0.242  1.00  0.00           H  
HETATM   27  H2  UNL     1       3.057  -1.613  -1.809  1.00  0.00           H  
HETATM   28  HXT UNL     1       4.975   2.093   1.394  1.00  0.00           H  
HETATM   29  H   UNL     1       1.940  -1.559   0.941  1.00  0.00           H  
CONECT    1    2    3   11   18                                       
CONECT    2   14   14   13    1                                       
CONECT    3   15    1    4   19                                       
CONECT    4    3    5   20   21                                       
CONECT    5    6    4   10   10                                       
CONECT    6    7    7    5   22                                       
CONECT    7    6    6    8   23                                       
CONECT    8    7   12    9    9                                       
CONECT    9    8    8   10   24                                       
CONECT   10    5    5    9   25                                       
CONECT   11    1   26   27                                            
CONECT   12   16   16    8   17                                       
CONECT   13    2   28                                                 
CONECT   14    2    2                                                 
CONECT   15    3   29                                                 
CONECT   16   12   12                                                 
CONECT   17   12                                                      
CONECT   18    1                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
