COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.284   0.607  -0.887  1.00  0.00           N  
HETATM    2  C   UNL     1       3.138  -0.415  -1.477  1.00  0.00           C  
HETATM    3  C   UNL     1       3.718   0.914  -1.022  1.00  0.00           C  
HETATM    4  C   UNL     1       4.508   1.012   0.274  1.00  0.00           C  
HETATM    5  C   UNL     1       5.703   1.942   0.058  1.00  0.00           C  
HETATM    6  C   UNL     1       1.055   0.997  -0.495  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.388   0.750  -0.148  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.042  -0.452   0.019  1.00  0.00           C  
HETATM    9  C   UNL     1       5.014  -0.337   0.741  1.00  0.00           C  
HETATM   10  O   UNL     1       6.387   2.136   1.297  1.00  0.00           O  
HETATM   11  C   UNL     1       3.953  -1.413   0.689  1.00  0.00           C  
HETATM   12  O   UNL     1       6.110  -0.730  -0.087  1.00  0.00           O  
HETATM   13  C   UNL     1       3.472  -1.677  -0.709  1.00  0.00           C  
HETATM   14  O   UNL     1       4.495  -2.621   1.228  1.00  0.00           O  
HETATM   15  O   UNL     1       2.292  -2.481  -0.647  1.00  0.00           O  
HETATM   16  O   UNL     1       0.895   2.093  -0.002  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.120   0.070  -0.670  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.581  -0.191  -0.326  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.849   0.489   0.196  1.00  0.00           C  
HETATM   20  H   UNL     1       3.045  -0.550  -2.555  1.00  0.00           H  
HETATM   21  H   UNL     1       4.006   1.625  -1.796  1.00  0.00           H  
HETATM   22  H   UNL     1       3.867   1.435   1.048  1.00  0.00           H  
HETATM   23  H   UNL     1       6.384   1.497  -0.668  1.00  0.00           H  
HETATM   24  H   UNL     1       5.352   2.904  -0.317  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.265   0.985   0.909  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.564   1.669  -0.707  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.165  -0.688  -1.039  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.866  -1.371   0.578  1.00  0.00           H  
HETATM   29  H   UNL     1       5.367  -0.243   1.768  1.00  0.00           H  
HETATM   30  H   UNL     1       7.158   2.717   1.235  1.00  0.00           H  
HETATM   31  H   UNL     1       3.108  -1.104   1.305  1.00  0.00           H  
HETATM   32  H   UNL     1       6.493  -1.586   0.147  1.00  0.00           H  
HETATM   33  H   UNL     1       4.243  -2.226  -1.249  1.00  0.00           H  
HETATM   34  H   UNL     1       4.788  -2.545   2.147  1.00  0.00           H  
HETATM   35  H   UNL     1       2.421  -3.337  -0.218  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.243  -0.166  -1.727  1.00  0.00           H  
HETATM   37  H   UNL     1       0.055  -0.849  -0.111  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.704  -0.427  -1.383  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.406  -1.110   0.233  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.025   1.408  -0.363  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.726   0.724   1.253  1.00  0.00           H  
HETATM   42  C   UNL     1      -6.310   0.228   0.540  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.503  -0.713   0.363  1.00  0.00           C  
HETATM   44  N   UNL     1      -8.717  -0.062   0.862  1.00  0.00           N  
HETATM   45  N   UNL     1      -9.584   0.117   0.170  1.00  0.00           N1+
HETATM   46  N   UNL     1     -10.451   0.296  -0.523  1.00  0.00           N1-
HETATM   47  H   UNL     1      -6.187   0.463   1.597  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.485   1.147  -0.019  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.626  -0.949  -0.695  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.327  -1.632   0.922  1.00  0.00           H  
CONECT    1    6    3    2                                            
CONECT    2   13    3   20    1                                       
CONECT    3    4    2    1   21                                       
CONECT    4    9    5    3   22                                       
CONECT    5    4   10   23   24                                       
CONECT    6   17   16   16    1                                       
CONECT    7   17   18   25   26                                       
CONECT    8   19   27   28   42                                       
CONECT    9   11   12    4   29                                       
CONECT   10    5   30                                                 
CONECT   11   14    9   13   31                                       
CONECT   12    9   32                                                 
CONECT   13   11   15    2   33                                       
CONECT   14   11   34                                                 
CONECT   15   13   35                                                 
CONECT   16    6    6                                                 
CONECT   17    6    7   36   37                                       
CONECT   18   19    7   38   39                                       
CONECT   19    8   18   40   41                                       
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42    8   43   47   48                                       
CONECT   43   42   44   49   50                                       
CONECT   44   43   45   45                                            
CONECT   45   44   44   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   42                                                      
CONECT   48   42                                                      
CONECT   49   43                                                      
CONECT   50   43                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
