COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  CG  HIS A   1      -4.177   0.907   0.288  1.00  0.00           C  
ATOM      2  CB  HIS A   1      -3.318  -0.269  -0.098  1.00  0.00           C  
ATOM      3  CA  HIS A   1      -2.090   0.227  -0.865  1.00  0.00           C  
ATOM      4  C   HIS A   1      -1.170  -0.934  -1.144  1.00  0.00           C  
ATOM      5  O   HIS A   1      -1.173  -1.461  -2.236  1.00  0.00           O  
ATOM      6  N   HIS A   1      -2.517   0.829  -2.135  1.00  0.00           N  
HETATM    7  C   UNK A   2       1.958  -0.016   1.065  1.00  0.00           C  
HETATM    8  C   UNK A   2       2.571   1.217   0.936  1.00  0.00           C  
HETATM    9  C   UNK A   2       3.647   1.368   0.082  1.00  0.00           C  
HETATM   10  N   UNK A   2       4.302   2.688  -0.056  1.00  0.00           N1+
HETATM   11  O   UNK A   2       3.893   3.641   0.582  1.00  0.00           O1-
HETATM   12  O   UNK A   2       5.251   2.821  -0.809  1.00  0.00           O  
HETATM   13  C   UNK A   2       4.112   0.286  -0.642  1.00  0.00           C  
HETATM   14  C   UNK A   2       3.500  -0.947  -0.513  1.00  0.00           C  
HETATM   15  C   UNK A   2       2.427  -1.099   0.345  1.00  0.00           C  
HETATM   16  C   UNK A   2       1.759  -2.443   0.486  1.00  0.00           C  
HETATM   17  O   UNK A   2       1.326  -2.620   1.836  1.00  0.00           O  
HETATM   18  C   UNK A   2       0.552  -2.513  -0.451  1.00  0.00           C  
HETATM   19  C   UNK A   2      -0.198  -3.826  -0.219  1.00  0.00           C  
HETATM   20  O   UNK A   2      -0.542  -3.940   1.164  1.00  0.00           O  
HETATM   21  N   UNK A   2      -0.343  -1.385  -0.180  1.00  0.00           N  
ATOM     22  CD2 HIS A   1      -5.485   1.058   0.004  1.00  0.00           C  
ATOM     23  NE2 HIS A   1      -5.870   2.259   0.537  1.00  0.00           N  
ATOM     24  CE1 HIS A   1      -4.783   2.799   1.129  1.00  0.00           C  
ATOM     25  ND1 HIS A   1      -3.776   1.983   0.980  1.00  0.00           N  
ATOM     26  HB1 HIS A   1      -2.996  -0.795   0.801  1.00  0.00           H  
ATOM     27  HB2 HIS A   1      -3.891  -0.947  -0.730  1.00  0.00           H  
ATOM     28  HA  HIS A   1      -1.565   0.971  -0.267  1.00  0.00           H  
ATOM     29  H1  HIS A   1      -1.731   1.222  -2.631  1.00  0.00           H  
ATOM     30  H2  HIS A   1      -3.007   0.158  -2.707  1.00  0.00           H  
HETATM   31  H   UNK A   2       1.117  -0.134   1.732  1.00  0.00           H  
HETATM   32  H   UNK A   2       2.208   2.062   1.502  1.00  0.00           H  
HETATM   33  H   UNK A   2       4.953   0.404  -1.309  1.00  0.00           H  
HETATM   34  H   UNK A   2       3.863  -1.792  -1.079  1.00  0.00           H  
HETATM   35  H   UNK A   2       2.467  -3.229   0.225  1.00  0.00           H  
HETATM   36  H   UNK A   2       0.692  -1.954   2.136  1.00  0.00           H  
HETATM   37  H   UNK A   2       0.891  -2.467  -1.486  1.00  0.00           H  
HETATM   38  H   UNK A   2      -1.107  -3.837  -0.821  1.00  0.00           H  
HETATM   39  H   UNK A   2       0.438  -4.664  -0.505  1.00  0.00           H  
HETATM   40  H   UNK A   2      -1.021  -4.751   1.384  1.00  0.00           H  
HETATM   41  H   UNK A   2      -0.341  -0.963   0.694  1.00  0.00           H  
ATOM     42  HD2 HIS A   1      -6.110   0.366  -0.541  1.00  0.00           H  
ATOM     43  HE2 HIS A   1      -6.757   2.648   0.496  1.00  0.00           H  
ATOM     44  HE1 HIS A   1      -4.754   3.749   1.643  1.00  0.00           H  
CONECT    1   22   22    2   25                                       
CONECT    2    3    1   26   27                                       
CONECT    3    4    6    2   28                                       
CONECT    4    5    5    3   21                                       
CONECT    5    4    4                                                 
CONECT    6    3   29   30                                            
CONECT    7   15   15    8   31                                       
CONECT    8    9    9    7   32                                       
CONECT    9   13   10    8    8                                       
CONECT   10   12   12    9   11                                       
CONECT   11   10                                                      
CONECT   12   10   10                                                 
CONECT   13   14   14    9   33                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   16    7    7                                       
CONECT   16   18   15   17   35                                       
CONECT   17   16   36                                                 
CONECT   18   19   21   16   37                                       
CONECT   19   20   18   38   39                                       
CONECT   20   19   40                                                 
CONECT   21    4   18   41                                            
CONECT   22   23    1    1   42                                       
CONECT   23   22   24   43                                            
CONECT   24   23   25   25   44                                       
CONECT   25    1   24   24                                            
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
