COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.396   6.838   2.476  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.848   3.573   2.031  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.999   2.260   1.608  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.494   1.096   2.383  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.217  -0.157   0.225  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.670   1.916   0.331  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.749   3.159   4.662  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.950   3.837   5.576  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.724   3.287   6.837  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.100   1.388   6.256  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.151   1.228   4.066  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501   6.734   3.625  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.199   5.518   2.982  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.007   5.577   2.332  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.361   7.493   3.274  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.713   4.274   2.790  1.00  0.00           N1+
HETATM   17  N   UNL     1      -0.797   4.368   1.746  1.00  0.00           N  
HETATM   18  O   UNL     1      -3.455   7.090   4.301  1.00  0.00           O  
HETATM   19  O   UNL     1       0.662   7.286   2.056  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.205   8.866   3.718  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.532   0.271   1.529  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.754   1.055  -0.537  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.089  -0.907   2.270  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.970   3.784   3.311  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.299   2.063   7.177  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.326   1.939   4.994  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.820   0.652   3.314  1.00  0.00           N  
HETATM   28  H   UNL     1      -2.363   0.509   2.704  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.992   1.472   3.282  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.048  -0.842   0.440  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.512  -0.703  -0.413  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.935   2.840  -0.194  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.596   1.382   0.572  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.497   4.792   5.321  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.100   3.812   7.555  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.541   0.435   6.537  1.00  0.00           H  
HETATM   37  H   UNL     1       0.009   4.100   1.188  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.032   9.145   4.375  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.195   9.543   2.859  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.266   8.982   4.266  1.00  0.00           H  
HETATM   41  H   UNL     1       0.346   0.880   1.285  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.906   1.664  -0.875  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.292   0.726  -1.433  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.498  -1.080   3.163  1.00  0.00           H  
HETATM   45  H   UNL     1       0.735  -1.374   1.960  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.398   3.058   2.610  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.686   4.612   3.376  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.123   1.635   8.160  1.00  0.00           H  
CONECT    1   15   14   19   19                                       
CONECT    2   16   16    3   17                                       
CONECT    3    2    4    6                                            
CONECT    4    3   21   28   29                                       
CONECT    5   21   22   30   31                                       
CONECT    6    3   22   32   33                                       
CONECT    7    8    8   26   24                                       
CONECT    8    7    7    9   34                                       
CONECT    9    8   25   25   35                                       
CONECT   10   25   26   26   36                                       
CONECT   11   26   27   27   27                                       
CONECT   12   18   18   13   15                                       
CONECT   13   12   16   14   14                                       
CONECT   14    1   13   13   17                                       
CONECT   15    1   12   20                                            
CONECT   16    2    2   13   24                                       
CONECT   17    2   14   37                                            
CONECT   18   12   12                                                 
CONECT   19    1    1                                                 
CONECT   20   15   38   39   40                                       
CONECT   21    4    5   23   41                                       
CONECT   22    5    6   42   43                                       
CONECT   23   21   44   45                                            
CONECT   24    7   16   46   47                                       
CONECT   25    9    9   10   48                                       
CONECT   26    7   10   10   11                                       
CONECT   27   11   11   11                                            
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   17                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
