COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   HIS A   1      -0.040  -1.210   0.053  1.00  0.00           N  
ATOM      2  CA  HIS A   1       1.172  -1.709   0.652  1.00  0.00           C  
ATOM      3  C   HIS A   1       1.083  -3.207   0.905  1.00  0.00           C  
ATOM      4  O   HIS A   1       0.040  -3.770   1.222  1.00  0.00           O  
ATOM      5  CB  HIS A   1       1.484  -0.975   1.962  1.00  0.00           C  
ATOM      6  CG  HIS A   1       2.940  -1.060   2.353  1.00  0.00           C  
ATOM      7  ND1 HIS A   1       3.380  -2.075   3.129  1.00  0.00           N1+
ATOM      8  CD2 HIS A   1       3.960  -0.251   2.046  1.00  0.00           C  
ATOM      9  CE1 HIS A   1       4.693  -1.908   3.317  1.00  0.00           C  
ATOM     10  NE2 HIS A   1       5.058  -0.801   2.662  1.00  0.00           N  
ATOM     11  OXT HIS A   1       2.247  -3.882   0.744  1.00  0.00           O  
ATOM     12  H1  HIS A   1      -0.102  -1.155  -0.950  1.00  0.00           H  
ATOM     13  H2  HIS A   1      -0.715  -0.741   0.634  1.00  0.00           H  
ATOM     14  HA  HIS A   1       1.965  -1.558  -0.089  1.00  0.00           H  
ATOM     15  HB1 HIS A   1       1.215   0.087   1.879  1.00  0.00           H  
ATOM     16  HB2 HIS A   1       0.859  -1.368   2.775  1.00  0.00           H  
ATOM     17  HD1 HIS A   1       2.828  -2.838   3.511  1.00  0.00           H  
ATOM     18  HD2 HIS A   1       4.108   0.647   1.479  1.00  0.00           H  
ATOM     19  HE1 HIS A   1       5.340  -2.550   3.892  1.00  0.00           H  
ATOM     20  HE2 HIS A   1       6.002  -0.428   2.627  1.00  0.00           H  
ATOM     21  HXT HIS A   1       2.188  -4.848   0.901  1.00  0.00           H  
CONECT    1    2   12   13                                            
CONECT    2    1    3    5   14                                       
CONECT    3    2    4    4   11                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   15   16                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6    9    9   17                                       
CONECT    8    6    6   10   18                                       
CONECT    9    7    7   10   19                                       
CONECT   10    8    9   20                                            
CONECT   11    3   21                                                 
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    7                                                      
CONECT   18    8                                                      
CONECT   19    9                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
