COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.411  -1.350   1.314  1.00  0.00           O  
HETATM    2  C   UNL     1       4.793  -0.422   0.641  1.00  0.00           C  
HETATM    3  O   UNL     1       6.089  -0.074   0.651  1.00  0.00           O  
HETATM    4  C   UNL     1       3.815   0.340  -0.216  1.00  0.00           C  
HETATM    5  C   UNL     1       2.417  -0.259  -0.051  1.00  0.00           C  
HETATM    6  N   UNL     1       1.463   0.484  -0.885  1.00  0.00           N  
HETATM    7  C   UNL     1       1.757   0.298  -2.312  1.00  0.00           C  
HETATM    8  C   UNL     1       0.154   0.117  -0.594  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.809   1.105  -0.122  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.854   2.381   0.152  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.975   2.669   0.524  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.779   1.758   0.563  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.192   0.653   0.172  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.511  -0.704  -0.015  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.882  -1.188   0.269  1.00  0.00           N1+
HETATM   16  O   UNL     1      -4.732  -0.410   0.665  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.159  -2.362   0.107  1.00  0.00           O1-
HETATM   18  C   UNL     1      -1.566  -1.570  -0.457  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.259  -1.176  -0.749  1.00  0.00           C  
HETATM   20  H   UNL     1       6.679  -0.595   1.213  1.00  0.00           H  
HETATM   21  H   UNL     1       3.800   1.386   0.092  1.00  0.00           H  
HETATM   22  H   UNL     1       4.118   0.273  -1.260  1.00  0.00           H  
HETATM   23  H   UNL     1       2.431  -1.305  -0.359  1.00  0.00           H  
HETATM   24  H   UNL     1       2.114  -0.193   0.994  1.00  0.00           H  
HETATM   25  H   UNL     1       1.081   0.914  -2.906  1.00  0.00           H  
HETATM   26  H   UNL     1       2.787   0.593  -2.513  1.00  0.00           H  
HETATM   27  H   UNL     1       1.621  -0.750  -2.578  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.837  -2.607  -0.592  1.00  0.00           H  
HETATM   29  H   UNL     1       0.447  -1.914  -1.102  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   20                                                 
CONECT    4    5    2   21   22                                       
CONECT    5    6    4   23   24                                       
CONECT    6    7    8    5                                            
CONECT    7    6   25   26   27                                       
CONECT    8    9    6   19   19                                       
CONECT    9   10   10   13    8                                       
CONECT   10   11    9    9                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   13                                            
CONECT   13   12   12    9   14                                       
CONECT   14   13   15   18   18                                       
CONECT   15   16   16   14   17                                       
CONECT   16   15   15                                                 
CONECT   17   15                                                      
CONECT   18   14   14   19   28                                       
CONECT   19    8    8   18   29                                       
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28   18                                                      
CONECT   29   19                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
