COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.514   1.832  -0.090  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.586   1.052  -0.023  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.689  -0.284   0.091  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.958  -1.015   0.152  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.813  -0.520   1.336  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.060   0.021   0.671  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.005   0.515   1.247  1.00  0.00           O  
HETATM    8  N   UNL     1      -3.953  -0.130  -0.655  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.810  -0.705  -1.060  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.509  -0.936  -2.211  1.00  0.00           O  
HETATM   11  C   UNL     1       0.848   1.412  -0.060  1.00  0.00           C  
HETATM   12  C   UNL     1       1.553   0.196   0.047  1.00  0.00           C  
HETATM   13  C   UNL     1       0.525  -0.862   0.140  1.00  0.00           C  
HETATM   14  O   UNL     1       0.740  -2.053   0.243  1.00  0.00           O  
HETATM   15  C   UNL     1       1.544   2.605  -0.169  1.00  0.00           C  
HETATM   16  C   UNL     1       2.930   2.594  -0.172  1.00  0.00           C  
HETATM   17  C   UNL     1       3.621   1.402  -0.068  1.00  0.00           C  
HETATM   18  C   UNL     1       2.939   0.201   0.042  1.00  0.00           C  
HETATM   19  N   UNL     1       3.687  -1.072   0.154  1.00  0.00           N1+
HETATM   20  O   UNL     1       4.905  -1.064   0.150  1.00  0.00           O  
HETATM   21  O   UNL     1       3.084  -2.126   0.251  1.00  0.00           O1-
HETATM   22  H   UNL     1      -1.778  -2.087   0.230  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.061  -1.346   2.002  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.294   0.269   1.881  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.646   0.151  -1.273  1.00  0.00           H  
HETATM   26  H   UNL     1       1.008   3.539  -0.251  1.00  0.00           H  
HETATM   27  H   UNL     1       3.473   3.524  -0.257  1.00  0.00           H  
HETATM   28  H   UNL     1       4.701   1.406  -0.073  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   11                                       
CONECT    3    4   13    2                                            
CONECT    4    5    9    3   22                                       
CONECT    5    6    4   23   24                                       
CONECT    6    7    7    8    5                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   25                                            
CONECT    9    8    4   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    2   12   12   15                                       
CONECT   12   13   11   11   18                                       
CONECT   13   14   14    3   12                                       
CONECT   14   13   13                                                 
CONECT   15   11   16   16   26                                       
CONECT   16   15   15   17   27                                       
CONECT   17   18   18   16   28                                       
CONECT   18   12   19   17   17                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   19                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    8                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
