COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   HIS A   1      -1.272   1.322  -0.483  1.00  0.00           N  
ATOM      2  CA  HIS A   1      -1.362  -0.092  -0.096  1.00  0.00           C  
ATOM      3  CB  HIS A   1      -0.318  -0.394   0.981  1.00  0.00           C  
ATOM      4  CG  HIS A   1       1.063  -0.227   0.402  1.00  0.00           C  
ATOM      5  ND1 HIS A   1       1.821   0.878   0.477  1.00  0.00           N1+
ATOM      6  CD2 HIS A   1       1.755  -1.162  -0.276  1.00  0.00           C  
ATOM      7  CE1 HIS A   1       2.954   0.664  -0.134  1.00  0.00           C  
ATOM      8  NE2 HIS A   1       2.954  -0.597  -0.618  1.00  0.00           N  
ATOM      9  C   HIS A   1      -2.760  -0.381   0.454  1.00  0.00           C  
ATOM     10  O   HIS A   1      -3.726  -0.212  -0.585  1.00  0.00           O  
ATOM     11  H1  HIS A   1      -1.907   1.532  -1.238  1.00  0.00           H  
ATOM     12  H2  HIS A   1      -1.439   1.926   0.308  1.00  0.00           H  
ATOM     13  HA  HIS A   1      -1.178  -0.720  -0.967  1.00  0.00           H  
ATOM     14  HB1 HIS A   1      -0.448   0.295   1.816  1.00  0.00           H  
ATOM     15  HB2 HIS A   1      -0.444  -1.418   1.332  1.00  0.00           H  
ATOM     16  HD1 HIS A   1       1.566   1.705   0.915  1.00  0.00           H  
ATOM     17  HD2 HIS A   1       1.428  -2.165  -0.505  1.00  0.00           H  
ATOM     18  HE1 HIS A   1       3.759   1.377  -0.235  1.00  0.00           H  
ATOM     19  HE2 HIS A   1       3.670  -1.023  -1.115  1.00  0.00           H  
ATOM     20  H1  HIS A   1      -2.801  -1.406   0.824  1.00  0.00           H  
ATOM     21  H2  HIS A   1      -2.980   0.308   1.270  1.00  0.00           H  
ATOM     22  H   HIS A   1      -4.637  -0.379  -0.307  1.00  0.00           H  
CONECT    1    2   11   12                                            
CONECT    2    1    9    3   13                                       
CONECT    3    2    4   14   15                                       
CONECT    4    5    6    6    3                                       
CONECT    5    7    7    4   16                                       
CONECT    6    8    4    4   17                                       
CONECT    7    8    5    5   18                                       
CONECT    8    7    6   19                                            
CONECT    9    2   10   20   21                                       
CONECT   10    9   22                                                 
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    3                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
