COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.122   2.520  -1.607  1.00  0.00           N  
HETATM    2  C   UNL     1       2.879   1.550  -0.804  1.00  0.00           C  
HETATM    3  C   UNL     1       3.130   2.127   0.590  1.00  0.00           C  
HETATM    4  C   UNL     1       3.822   3.486   0.462  1.00  0.00           C  
HETATM    5  O   UNL     1       1.884   2.289   1.270  1.00  0.00           O  
HETATM    6  C   UNL     1       2.089   0.272  -0.684  1.00  0.00           C  
HETATM    7  N   UNL     1       0.797   0.216  -0.600  1.00  0.00           N  
HETATM    8  N   UNL     1       2.644  -0.977  -0.657  1.00  0.00           N  
HETATM    9  C   UNL     1       1.647  -1.883  -0.548  1.00  0.00           C  
HETATM   10  O   UNL     1       1.753  -3.095  -0.493  1.00  0.00           O  
HETATM   11  C   UNL     1       0.406  -1.091  -0.504  1.00  0.00           C  
HETATM   12  C   UNL     1       4.075  -1.281  -0.732  1.00  0.00           C  
HETATM   13  C   UNL     1       4.656  -1.314   0.658  1.00  0.00           C  
HETATM   14  O   UNL     1       3.947  -1.105   1.614  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.882  -1.568  -0.396  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.999  -0.632  -0.249  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.295  -1.114  -0.015  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.777   0.750  -0.337  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.335  -0.239   0.121  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.833   1.621  -0.197  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.115   1.131   0.029  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.154   1.993   0.165  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.701  -0.751   0.368  1.00  0.00           N1+
HETATM   24  O   UNL     1      -5.897  -1.951   0.449  1.00  0.00           O1-
HETATM   25  O   UNL     1      -6.630   0.027   0.490  1.00  0.00           O  
HETATM   26  H   UNL     1       1.998   2.189  -2.552  1.00  0.00           H  
HETATM   27  H   UNL     1       1.232   2.728  -1.178  1.00  0.00           H  
HETATM   28  H   UNL     1       3.833   1.343  -1.290  1.00  0.00           H  
HETATM   29  H   UNL     1       3.767   1.447   1.156  1.00  0.00           H  
HETATM   30  H   UNL     1       4.001   3.897   1.456  1.00  0.00           H  
HETATM   31  H   UNL     1       4.773   3.362  -0.056  1.00  0.00           H  
HETATM   32  H   UNL     1       3.185   4.166  -0.103  1.00  0.00           H  
HETATM   33  H   UNL     1       1.967   2.652   2.163  1.00  0.00           H  
HETATM   34  H   UNL     1       4.215  -2.252  -1.208  1.00  0.00           H  
HETATM   35  H   UNL     1       4.579  -0.513  -1.319  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.068  -2.631  -0.420  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.471  -2.178   0.057  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.781   1.128  -0.512  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.666   2.686  -0.264  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.596   2.210  -0.666  1.00  0.00           H  
HETATM   41  O   UNL     1       5.960  -1.576   0.834  1.00  0.00           O  
HETATM   42  H   UNL     1       6.287  -1.587   1.745  1.00  0.00           H  
CONECT    1    2   26   27                                            
CONECT    2    1    6    3   28                                       
CONECT    3    2    5    4   29                                       
CONECT    4    3   30   31   32                                       
CONECT    5    3   33                                                 
CONECT    6    8    7    7    2                                       
CONECT    7   11    6    6                                            
CONECT    8   12    9    6                                            
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   15   15    7                                       
CONECT   12   13    8   34   35                                       
CONECT   13   14   14   12   41                                       
CONECT   14   13   13                                                 
CONECT   15   11   11   16   36                                       
CONECT   16   15   18   18   17                                       
CONECT   17   16   19   19   37                                       
CONECT   18   16   16   20   38                                       
CONECT   19   17   17   21   23                                       
CONECT   20   18   21   21   39                                       
CONECT   21   20   20   19   22                                       
CONECT   22   21   40                                                 
CONECT   23   19   24   25   25                                       
CONECT   24   23                                                      
CONECT   25   23   23                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   13   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
