COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  OXT HIS A   1      -4.870  -2.007   1.880  1.00  0.00           O  
ATOM      2  C   HIS A   1      -3.990  -1.612   0.947  1.00  0.00           C  
ATOM      3  O   HIS A   1      -3.470  -2.427   0.222  1.00  0.00           O  
ATOM      4  CA  HIS A   1      -3.652  -0.150   0.802  1.00  0.00           C  
ATOM      5  CB  HIS A   1      -4.921   0.637   0.471  1.00  0.00           C  
ATOM      6  N   HIS A   1      -2.673   0.021  -0.280  1.00  0.00           N  
ATOM      7  CA  HIS A   1      -1.887   1.247  -0.090  1.00  0.00           C  
ATOM      8  C   HIS A   1      -2.636   2.419  -0.669  1.00  0.00           C  
ATOM      9  OXT HIS A   1      -2.105   3.651  -0.609  1.00  0.00           O  
ATOM     10  O   HIS A   1      -3.714   2.251  -1.187  1.00  0.00           O  
ATOM     11  C   HIS A   1      -0.539   1.103  -0.798  1.00  0.00           C  
ATOM     12  C   HIS A   1       0.274  -0.007  -0.128  1.00  0.00           C  
ATOM     13  N   HIS A   1       1.568  -0.145  -0.808  1.00  0.00           N  
ATOM     14  CA  HIS A   1       2.377  -1.204  -0.190  1.00  0.00           C  
ATOM     15  C   HIS A   1       1.997  -2.537  -0.782  1.00  0.00           C  
ATOM     16  OXT HIS A   1       2.610  -3.656  -0.366  1.00  0.00           O  
ATOM     17  O   HIS A   1       1.140  -2.598  -1.632  1.00  0.00           O  
ATOM     18  CB  HIS A   1       3.860  -0.933  -0.454  1.00  0.00           C  
ATOM     19  CG  HIS A   1       4.270   0.339   0.243  1.00  0.00           C  
ATOM     20  CD2 HIS A   1       5.286   0.471   1.117  1.00  0.00           C  
ATOM     21  NE2 HIS A   1       5.307   1.783   1.504  1.00  0.00           N  
ATOM     22  CE1 HIS A   1       4.303   2.409   0.852  1.00  0.00           C  
ATOM     23  ND1 HIS A   1       3.690   1.540   0.096  1.00  0.00           N  
ATOM     24  HXT HIS A   1      -5.055  -2.955   1.935  1.00  0.00           H  
ATOM     25  HA  HIS A   1      -3.229   0.219   1.736  1.00  0.00           H  
ATOM     26  HB1 HIS A   1      -5.345   0.268  -0.463  1.00  0.00           H  
ATOM     27  HB2 HIS A   1      -5.647   0.510   1.274  1.00  0.00           H  
ATOM     28  HB3 HIS A   1      -4.676   1.694   0.367  1.00  0.00           H  
ATOM     29  H   HIS A   1      -3.127   0.019  -1.181  1.00  0.00           H  
ATOM     30  HA  HIS A   1      -1.722   1.411   0.975  1.00  0.00           H  
ATOM     31  HXT HIS A   1      -2.623   4.371  -0.994  1.00  0.00           H  
ATOM     32  H   HIS A   1      -0.703   0.851  -1.846  1.00  0.00           H  
ATOM     33  H   HIS A   1       0.008   2.044  -0.733  1.00  0.00           H  
ATOM     34  H   HIS A   1       0.439   0.245   0.920  1.00  0.00           H  
ATOM     35  H   HIS A   1      -0.273  -0.947  -0.193  1.00  0.00           H  
ATOM     36  H   HIS A   1       2.067   0.732  -0.817  1.00  0.00           H  
ATOM     37  HA  HIS A   1       2.196  -1.219   0.885  1.00  0.00           H  
ATOM     38  HXT HIS A   1       2.333  -4.487  -0.775  1.00  0.00           H  
ATOM     39  HB1 HIS A   1       4.454  -1.764  -0.073  1.00  0.00           H  
ATOM     40  HB2 HIS A   1       4.025  -0.830  -1.526  1.00  0.00           H  
ATOM     41  HD2 HIS A   1       5.955  -0.310   1.449  1.00  0.00           H  
ATOM     42  HE2 HIS A   1       5.928   2.189   2.129  1.00  0.00           H  
ATOM     43  HE1 HIS A   1       4.052   3.455   0.940  1.00  0.00           H  
CONECT    1    2   24                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    6    2    5   25                                       
CONECT    5    4   26   27   28                                       
CONECT    6    7    4   29                                            
CONECT    7   11    8    6   30                                       
CONECT    8   10   10    9    7                                       
CONECT    9    8   31                                                 
CONECT   10    8    8                                                 
CONECT   11   12    7   32   33                                       
CONECT   12   13   11   34   35                                       
CONECT   13   14   12   36                                            
CONECT   14   18   13   15   37                                       
CONECT   15   14   17   17   16                                       
CONECT   16   15   38                                                 
CONECT   17   15   15                                                 
CONECT   18   19   14   39   40                                       
CONECT   19   20   20   18   23                                       
CONECT   20   21   19   19   41                                       
CONECT   21   20   22   42                                            
CONECT   22   21   23   23   43                                       
CONECT   23   19   22   22                                            
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
