COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   2       1.720  -0.229  -1.030  1.00  0.00           C  
HETATM    2  C   UNK A   2       1.787  -1.602  -0.882  1.00  0.00           C  
HETATM    3  C   UNK A   2       2.599  -2.152   0.092  1.00  0.00           C  
HETATM    4  N   UNK A   2       2.671  -3.622   0.251  1.00  0.00           N1+
HETATM    5  O   UNK A   2       2.015  -4.346  -0.476  1.00  0.00           O1-
HETATM    6  O   UNK A   2       3.387  -4.108   1.109  1.00  0.00           O  
HETATM    7  C   UNK A   2       3.344  -1.331   0.917  1.00  0.00           C  
HETATM    8  C   UNK A   2       3.277   0.042   0.768  1.00  0.00           C  
HETATM    9  C   UNK A   2       2.469   0.593  -0.209  1.00  0.00           C  
HETATM   10  C   UNK A   2       2.395   2.089  -0.370  1.00  0.00           C  
HETATM   11  O   UNK A   2       2.247   2.412  -1.755  1.00  0.00           O  
HETATM   12  C   UNK A   2       1.195   2.628   0.410  1.00  0.00           C  
HETATM   13  C   UNK A   2       1.046   4.128   0.146  1.00  0.00           C  
HETATM   14  O   UNK A   2       0.959   4.357  -1.261  1.00  0.00           O  
HETATM   15  N   UNK A   2      -0.021   1.934  -0.021  1.00  0.00           N  
ATOM     16  C   HIS A   1      -1.077   1.844   0.811  1.00  0.00           C  
ATOM     17  O   HIS A   1      -1.022   2.339   1.917  1.00  0.00           O  
ATOM     18  CA  HIS A   1      -2.327   1.129   0.367  1.00  0.00           C  
ATOM     19  N   HIS A   1      -3.459   1.560   1.198  1.00  0.00           N  
ATOM     20  CB  HIS A   1      -2.131  -0.381   0.515  1.00  0.00           C  
ATOM     21  CG  HIS A   1      -3.332  -1.100  -0.043  1.00  0.00           C  
ATOM     22  CD2 HIS A   1      -3.312  -2.055  -0.993  1.00  0.00           C  
ATOM     23  NE2 HIS A   1      -4.611  -2.435  -1.200  1.00  0.00           N  
ATOM     24  CE1 HIS A   1      -5.380  -1.699  -0.369  1.00  0.00           C  
ATOM     25  ND1 HIS A   1      -4.608  -0.906   0.324  1.00  0.00           N  
HETATM   26  H   UNK A   2       1.085   0.202  -1.791  1.00  0.00           H  
HETATM   27  H   UNK A   2       1.206  -2.244  -1.527  1.00  0.00           H  
HETATM   28  H   UNK A   2       3.979  -1.761   1.677  1.00  0.00           H  
HETATM   29  H   UNK A   2       3.859   0.684   1.413  1.00  0.00           H  
HETATM   30  H   UNK A   2       3.310   2.542   0.012  1.00  0.00           H  
HETATM   31  H   UNK A   2       1.452   2.042  -2.162  1.00  0.00           H  
HETATM   32  H   UNK A   2       1.350   2.461   1.476  1.00  0.00           H  
HETATM   33  H   UNK A   2       0.141   4.494   0.631  1.00  0.00           H  
HETATM   34  H   UNK A   2       1.912   4.655   0.548  1.00  0.00           H  
HETATM   35  H   UNK A   2       0.863   5.289  -1.503  1.00  0.00           H  
HETATM   36  H   UNK A   2      -0.065   1.538  -0.906  1.00  0.00           H  
ATOM     37  HA  HIS A   1      -2.531   1.369  -0.677  1.00  0.00           H  
ATOM     38  H1  HIS A   1      -4.321   1.144   0.879  1.00  0.00           H  
ATOM     39  H2  HIS A   1      -3.294   1.349   2.171  1.00  0.00           H  
ATOM     40  HB1 HIS A   1      -1.239  -0.687  -0.031  1.00  0.00           H  
ATOM     41  HB2 HIS A   1      -2.016  -0.631   1.569  1.00  0.00           H  
ATOM     42  HD2 HIS A   1      -2.440  -2.446  -1.495  1.00  0.00           H  
ATOM     43  HE2 HIS A   1      -4.921  -3.107  -1.826  1.00  0.00           H  
ATOM     44  HE1 HIS A   1      -6.455  -1.758  -0.287  1.00  0.00           H  
CONECT    1    9    9    2   26                                       
CONECT    2    3    3    1   27                                       
CONECT    3    7    4    2    2                                       
CONECT    4    6    6    3    5                                       
CONECT    5    4                                                      
CONECT    6    4    4                                                 
CONECT    7    8    8    3   28                                       
CONECT    8    7    7    9   29                                       
CONECT    9    8   10    1    1                                       
CONECT   10   12    9   11   30                                       
CONECT   11   10   31                                                 
CONECT   12   13   15   10   32                                       
CONECT   13   14   12   33   34                                       
CONECT   14   13   35                                                 
CONECT   15   12   16   36                                            
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   20   19   37                                       
CONECT   19   18   38   39                                            
CONECT   20   21   18   40   41                                       
CONECT   21   25   22   22   20                                       
CONECT   22   23   21   21   42                                       
CONECT   23   24   22   43                                            
CONECT   24   23   25   25   44                                       
CONECT   25   24   24   21                                            
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
