COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   HIS A   1      -1.527   0.804   0.198  1.00  0.00           N  
HETATM    2  C   UNK A   0      -0.450   0.084  -0.175  1.00  0.00           C  
HETATM    3  C   UNK A   0       0.661  -0.174   0.810  1.00  0.00           C  
HETATM    4  C   UNK A   0       1.218  -2.318  -0.167  1.00  0.00           C  
HETATM    5  C   UNK A   0       2.910  -1.047   1.010  1.00  0.00           C  
HETATM    6  C   UNK A   0       3.657   0.260   0.935  1.00  0.00           C  
HETATM    7  C   UNK A   0       4.542   0.492  -0.101  1.00  0.00           C  
HETATM    8  C   UNK A   0       5.027   2.657   0.799  1.00  0.00           C  
HETATM    9  C   UNK A   0       3.453   1.228   1.900  1.00  0.00           C  
HETATM   10  O   UNK A   0       3.066  -2.330  -1.629  1.00  0.00           O  
ATOM     11  O   HIS A   1      -1.243   2.856  -1.408  1.00  0.00           O  
ATOM     12  C   HIS A   1      -2.278   2.260  -1.592  1.00  0.00           C  
ATOM     13  OXT HIS A   1      -3.132   2.676  -2.540  1.00  0.00           O  
ATOM     14  CA  HIS A   1      -2.610   1.050  -0.757  1.00  0.00           C  
ATOM     15  CB  HIS A   1      -3.915   1.297   0.003  1.00  0.00           C  
ATOM     16  CG  HIS A   1      -4.311   0.044   0.740  1.00  0.00           C  
ATOM     17  ND1 HIS A   1      -5.171  -0.925   0.299  1.00  0.00           N  
ATOM     18  CE1 HIS A   1      -5.239  -1.869   1.263  1.00  0.00           C  
ATOM     19  NE2 HIS A   1      -4.466  -1.512   2.252  1.00  0.00           N  
ATOM     20  CD2 HIS A   1      -3.884  -0.340   1.958  1.00  0.00           C  
HETATM   21  O   UNK A   0      -0.375  -0.355  -1.303  1.00  0.00           O  
HETATM   22  N   UNK A   0       1.710  -0.975   0.166  1.00  0.00           N  
HETATM   23  C   UNK A   0       2.154  -2.966  -1.155  1.00  0.00           C  
HETATM   24  O   UNK A   0       1.975  -4.248  -1.508  1.00  0.00           O  
HETATM   25  C   UNK A   0       5.227   1.691  -0.169  1.00  0.00           C  
HETATM   26  C   UNK A   0       4.137   2.427   1.831  1.00  0.00           C  
ATOM     27  H   HIS A   1      -1.587   1.155   1.100  1.00  0.00           H  
HETATM   28  H   UNK A   0       1.080   0.776   1.142  1.00  0.00           H  
HETATM   29  H   UNK A   0       0.266  -0.717   1.669  1.00  0.00           H  
HETATM   30  H   UNK A   0       1.171  -2.922   0.739  1.00  0.00           H  
HETATM   31  H   UNK A   0       0.223  -2.243  -0.605  1.00  0.00           H  
HETATM   32  H   UNK A   0       3.554  -1.854   0.658  1.00  0.00           H  
HETATM   33  H   UNK A   0       2.617  -1.240   2.042  1.00  0.00           H  
HETATM   34  H   UNK A   0       4.698  -0.263  -0.857  1.00  0.00           H  
HETATM   35  H   UNK A   0       5.562   3.594   0.745  1.00  0.00           H  
HETATM   36  H   UNK A   0       2.758   1.048   2.707  1.00  0.00           H  
ATOM     37  HXT HIS A   1      -2.876   3.457  -3.050  1.00  0.00           H  
ATOM     38  HA  HIS A   1      -2.727   0.182  -1.406  1.00  0.00           H  
ATOM     39  HB1 HIS A   1      -3.772   2.109   0.716  1.00  0.00           H  
ATOM     40  HB2 HIS A   1      -4.701   1.567  -0.703  1.00  0.00           H  
ATOM     41  HD1 HIS A   1      -5.643  -0.933  -0.548  1.00  0.00           H  
ATOM     42  HE1 HIS A   1      -5.833  -2.769   1.222  1.00  0.00           H  
ATOM     43  HD2 HIS A   1      -3.190   0.199   2.586  1.00  0.00           H  
HETATM   44  H   UNK A   0       2.600  -4.620  -2.145  1.00  0.00           H  
HETATM   45  H   UNK A   0       5.918   1.872  -0.979  1.00  0.00           H  
HETATM   46  H   UNK A   0       3.981   3.182   2.588  1.00  0.00           H  
CONECT    1    2   14   27                                            
CONECT    2   21   21    3    1                                       
CONECT    3    2   22   28   29                                       
CONECT    4   22   23   30   31                                       
CONECT    5    6   22   32   33                                       
CONECT    6    7    5    9    9                                       
CONECT    7   25   25    6   34                                       
CONECT    8   25   26   26   35                                       
CONECT    9    6    6   26   36                                       
CONECT   10   23   23                                                 
CONECT   11   12   12                                                 
CONECT   12   11   11   14   13                                       
CONECT   13   12   37                                                 
CONECT   14   12    1   15   38                                       
CONECT   15   14   16   39   40                                       
CONECT   16   17   20   20   15                                       
CONECT   17   18   16   41                                            
CONECT   18   17   19   19   42                                       
CONECT   19   18   18   20                                            
CONECT   20   19   16   16   43                                       
CONECT   21    2    2                                                 
CONECT   22    5    3    4                                            
CONECT   23    4   10   10   24                                       
CONECT   24   23   44                                                 
CONECT   25    7    7    8   45                                       
CONECT   26    8    8    9   46                                       
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
