COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.100   0.350   0.876  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.704   1.553   0.542  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.246   1.922   0.643  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.448   0.748   0.910  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.729   2.451  -0.713  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.717   3.880  -0.721  1.00  0.00           O  
HETATM    7  C   UNL     1       0.710   1.896  -0.809  1.00  0.00           C  
HETATM    8  O   UNL     1       1.655   2.966  -0.879  1.00  0.00           O  
HETATM    9  C   UNL     1       0.892   1.098   0.501  1.00  0.00           C  
HETATM   10  N   UNL     1       1.683  -0.110   0.256  1.00  0.00           N  
HETATM   11  C   UNL     1       1.194  -1.357   0.001  1.00  0.00           C  
HETATM   12  N   UNL     1       2.175  -2.194  -0.169  1.00  0.00           N  
HETATM   13  C   UNL     1       3.354  -1.540  -0.035  1.00  0.00           C  
HETATM   14  C   UNL     1       4.706  -1.915  -0.110  1.00  0.00           C  
HETATM   15  N   UNL     1       5.064  -3.224  -0.377  1.00  0.00           N  
HETATM   16  N   UNL     1       5.633  -0.982   0.082  1.00  0.00           N  
HETATM   17  C   UNL     1       5.301   0.270   0.337  1.00  0.00           C  
HETATM   18  N   UNL     1       4.048   0.667   0.417  1.00  0.00           N  
HETATM   19  C   UNL     1       3.053  -0.194   0.235  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.556  -0.021   0.768  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.696  -1.215  -0.068  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.936  -1.740  -0.309  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.016  -1.166   0.217  1.00  0.00           N1+
HETATM   24  N   UNL     1      -6.063  -2.826  -1.070  1.00  0.00           N  
HETATM   25  H   UNL     1      -2.382  -0.378   1.224  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.422   2.280   0.193  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.098   2.668   1.423  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.342   2.070  -1.530  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.589   4.281  -0.603  1.00  0.00           H  
HETATM   30  H   UNL     1       0.810   1.242  -1.674  1.00  0.00           H  
HETATM   31  H   UNL     1       1.546   3.537  -1.652  1.00  0.00           H  
HETATM   32  H   UNL     1       1.370   1.718   1.260  1.00  0.00           H  
HETATM   33  H   UNL     1       0.146  -1.612  -0.052  1.00  0.00           H  
HETATM   34  H   UNL     1       4.378  -3.896  -0.516  1.00  0.00           H  
HETATM   35  H   UNL     1       6.001  -3.471  -0.426  1.00  0.00           H  
HETATM   36  H   UNL     1       6.087   0.996   0.487  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.954  -0.225   1.763  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.109   0.804   0.319  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.909  -1.634  -0.451  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.924  -0.375   0.771  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.276  -3.245  -1.453  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.942  -3.199  -1.241  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.895  -1.538   0.046  1.00  0.00           H  
CONECT    1   20    2    2   25                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    4    5   27                                       
CONECT    4    9    3                                                 
CONECT    5    7    3    6   28                                       
CONECT    6    5   29                                                 
CONECT    7    9    8    5   30                                       
CONECT    8    7   31                                                 
CONECT    9   10    7    4   32                                       
CONECT   10   11   19    9                                            
CONECT   11   12   12   10   33                                       
CONECT   12   13   11   11                                            
CONECT   13   14   14   12   19                                       
CONECT   14   15   13   13   16                                       
CONECT   15   14   34   35                                            
CONECT   16   14   17   17                                            
CONECT   17   16   16   18   36                                       
CONECT   18   19   19   17                                            
CONECT   19   13   10   18   18                                       
CONECT   20   21    1   37   38                                       
CONECT   21   20   22   39                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   40   43                                       
CONECT   24   22   41   42                                            
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
