COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -4.090  -1.268   0.545  1.00  0.00           C  
ATOM      2  C   HIS A   1       2.541   2.292  -0.549  1.00  0.00           C  
ATOM      3  CG  HIS A   1       3.230  -1.448  -0.399  1.00  0.00           C  
ATOM      4  CE1 HIS A   1       3.156  -3.149   0.927  1.00  0.00           C  
HETATM    5  C   UNK A   0      -0.048   0.676   0.321  1.00  0.00           C  
HETATM    6  C   UNK A   0      -2.412   0.555   0.898  1.00  0.00           C  
HETATM    7  C   UNK A   0      -3.688   0.030   0.293  1.00  0.00           C  
HETATM    8  C   UNK A   0      -4.457   0.847  -0.514  1.00  0.00           C  
HETATM    9  C   UNK A   0      -5.629   0.366  -1.069  1.00  0.00           C  
HETATM   10  C   UNK A   0      -6.031  -0.932  -0.817  1.00  0.00           C  
HETATM   11  C   UNK A   0      -5.259  -1.751  -0.014  1.00  0.00           C  
ATOM     12  CA  HIS A   1       2.336   0.852  -0.154  1.00  0.00           C  
ATOM     13  CB  HIS A   1       3.353  -0.027  -0.885  1.00  0.00           C  
ATOM     14  CD2 HIS A   1       3.022  -2.533  -1.169  1.00  0.00           C  
HETATM   15  N   UNK A   0      -1.295   0.292  -0.014  1.00  0.00           N  
ATOM     16  N   HIS A   1       0.979   0.435  -0.518  1.00  0.00           N  
ATOM     17  NE2 HIS A   1       2.975  -3.612  -0.329  1.00  0.00           N  
ATOM     18  ND1 HIS A   1       3.313  -1.855   0.877  1.00  0.00           N  
ATOM     19  O   HIS A   1       1.646   2.906  -1.080  1.00  0.00           O  
ATOM     20  OXT HIS A   1       3.718   2.892  -0.311  1.00  0.00           O  
HETATM   21  S   UNK A   0       0.233   1.471   1.811  1.00  0.00           S  
HETATM   22  H   UNK A   0      -3.489  -1.907   1.176  1.00  0.00           H  
ATOM     23  HE1 HIS A   1       3.173  -3.751   1.823  1.00  0.00           H  
HETATM   24  H   UNK A   0      -2.502   1.628   1.062  1.00  0.00           H  
HETATM   25  H   UNK A   0      -2.229   0.056   1.850  1.00  0.00           H  
HETATM   26  H   UNK A   0      -4.143   1.862  -0.712  1.00  0.00           H  
HETATM   27  H   UNK A   0      -6.232   1.006  -1.696  1.00  0.00           H  
HETATM   28  H   UNK A   0      -6.946  -1.308  -1.250  1.00  0.00           H  
HETATM   29  H   UNK A   0      -5.573  -2.766   0.183  1.00  0.00           H  
ATOM     30  HA  HIS A   1       2.472   0.748   0.922  1.00  0.00           H  
ATOM     31  HB1 HIS A   1       4.360   0.339  -0.684  1.00  0.00           H  
ATOM     32  HB2 HIS A   1       3.160   0.008  -1.957  1.00  0.00           H  
ATOM     33  HD2 HIS A   1       2.913  -2.548  -2.244  1.00  0.00           H  
HETATM   34  H   UNK A   0      -1.454  -0.158  -0.858  1.00  0.00           H  
ATOM     35  H   HIS A   1       0.821  -0.016  -1.362  1.00  0.00           H  
ATOM     36  HE2 HIS A   1       2.835  -4.537  -0.587  1.00  0.00           H  
ATOM     37  HXT HIS A   1       3.802   3.816  -0.582  1.00  0.00           H  
CONECT    1   11   11    7   22                                       
CONECT    2   12   19   19   20                                       
CONECT    3   13   18   14   14                                       
CONECT    4   18   18   17   23                                       
CONECT    5   15   16   21   21                                       
CONECT    6    7   15   24   25                                       
CONECT    7    8    8    1    6                                       
CONECT    8    9    7    7   26                                       
CONECT    9   10   10    8   27                                       
CONECT   10    9    9   11   28                                       
CONECT   11   10    1    1   29                                       
CONECT   12   16   13    2   30                                       
CONECT   13    3   12   31   32                                       
CONECT   14    3    3   17   33                                       
CONECT   15    6    5   34                                            
CONECT   16    5   12   35                                            
CONECT   17    4   14   36                                            
CONECT   18    3    4    4                                            
CONECT   19    2    2                                                 
CONECT   20    2   37                                                 
CONECT   21    5    5                                                 
CONECT   22    1                                                      
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
