COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.790  -3.576  -0.100  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.550  -4.086   1.081  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.567  -3.408   1.674  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.168  -2.454   0.876  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.951  -2.543  -0.287  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.869  -1.682  -1.469  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.021  -0.242  -1.053  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.908   0.499  -0.720  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.279   0.336  -1.012  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.430   1.658  -0.631  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.326   2.411  -0.289  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.051   1.837  -0.333  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.869   2.634   0.023  1.00  0.00           C  
HETATM   14  N   UNL     1       0.312   2.085  -0.024  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.042   4.071   0.430  1.00  0.00           C  
HETATM   16  C   UNL     1       0.273   4.797   0.372  1.00  0.00           C  
HETATM   17  N   UNL     1       1.391   4.158   0.314  1.00  0.00           N  
HETATM   18  C   UNL     1       1.423   2.796   0.293  1.00  0.00           C  
HETATM   19  N   UNL     1       2.543   2.165   0.583  1.00  0.00           N  
HETATM   20  C   UNL     1       2.582   0.801   0.564  1.00  0.00           C  
HETATM   21  C   UNL     1       3.651   0.138  -0.047  1.00  0.00           C  
HETATM   22  C   UNL     1       1.557   0.060   1.160  1.00  0.00           C  
HETATM   23  C   UNL     1       1.603  -1.317   1.137  1.00  0.00           C  
HETATM   24  C   UNL     1       2.662  -1.967   0.525  1.00  0.00           C  
HETATM   25  C   UNL     1       3.683  -1.241  -0.062  1.00  0.00           C  
HETATM   26  N   UNL     1       4.813  -1.946  -0.708  1.00  0.00           N1+
HETATM   27  O   UNL     1       5.712  -1.308  -1.226  1.00  0.00           O1-
HETATM   28  O   UNL     1       4.843  -3.163  -0.723  1.00  0.00           O  
HETATM   29  H   UNL     1      -4.531  -3.927  -0.803  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.167  -3.614   2.656  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.902  -1.820  -1.953  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.664  -1.945  -2.166  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.927   0.049  -0.756  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.147  -0.249  -1.278  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.414   2.101  -0.602  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.445   3.442   0.007  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.750   4.553  -0.244  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.433   4.113   1.447  1.00  0.00           H  
HETATM   39  H   UNL     1       0.281   5.877   0.380  1.00  0.00           H  
HETATM   40  H   UNL     1       4.448   0.703  -0.506  1.00  0.00           H  
HETATM   41  H   UNL     1       0.730   0.566   1.638  1.00  0.00           H  
HETATM   42  H   UNL     1       0.812  -1.891   1.597  1.00  0.00           H  
HETATM   43  H   UNL     1       2.693  -3.047   0.511  1.00  0.00           H  
CONECT    1    2    2    5   29                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5                                            
CONECT    5    1    4    6                                            
CONECT    6    5    7   31   32                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   12   33                                       
CONECT    9    7   10   10   34                                       
CONECT   10    9    9   11   35                                       
CONECT   11   10   12   12   36                                       
CONECT   12    8   11   11   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   18                                            
CONECT   15   13   16   37   38                                       
CONECT   16   15   17   17   39                                       
CONECT   17   16   16   18                                            
CONECT   18   14   17   19   19                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20   25   40                                       
CONECT   22   20   23   23   41                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   25   43                                       
CONECT   25   21   24   24   26                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
