COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -0.817  -2.090  -0.553  1.00  0.00           C  
HETATM    2  C   UNK A   0      -1.543  -3.256   0.127  1.00  0.00           C  
HETATM    3  C   UNK A   0      -1.909  -4.302  -0.928  1.00  0.00           C  
HETATM    4  N   UNK A   0       4.224  -0.858  -0.494  1.00  0.00           N  
HETATM    5  C   UNK A   0      -3.922  -4.946   0.401  1.00  0.00           C  
HETATM    6  C   UNK A   0      -3.557  -3.903   1.459  1.00  0.00           C  
HETATM    7  C   UNK A   0      -1.738  -0.520   1.201  1.00  0.00           C  
ATOM      8  CA  HIS A   1      -2.888   1.973  -1.378  1.00  0.00           C  
ATOM      9  CG  HIS A   1      -2.377   4.169  -0.345  1.00  0.00           C  
ATOM     10  CD2 HIS A   1      -3.423   4.859   0.148  1.00  0.00           C  
ATOM     11  CE1 HIS A   1      -1.800   5.100   1.550  1.00  0.00           C  
ATOM     12  O   HIS A   1      -2.347   0.205  -2.838  1.00  0.00           O  
ATOM     13  C   HIS A   1      -2.972   1.227  -2.685  1.00  0.00           C  
ATOM     14  CB  HIS A   1      -2.346   3.382  -1.630  1.00  0.00           C  
ATOM     15  ND1 HIS A   1      -1.346   4.324   0.542  1.00  0.00           N  
ATOM     16  NE2 HIS A   1      -3.041   5.421   1.305  1.00  0.00           N  
ATOM     17  N   HIS A   1      -1.989   1.258  -0.463  1.00  0.00           N  
HETATM   18  C   UNK A   0      -2.706   0.200   0.260  1.00  0.00           C  
HETATM   19  C   UNK A   0      -2.451  -1.703   1.864  1.00  0.00           C  
HETATM   20  C   UNK A   0      -2.818  -2.738   0.797  1.00  0.00           C  
HETATM   21  C   UNK A   0      -2.645  -5.466  -0.262  1.00  0.00           C  
HETATM   22  N   UNK A   0      -0.590  -1.029   0.438  1.00  0.00           N  
HETATM   23  C   UNK A   0       0.646  -0.533   0.643  1.00  0.00           C  
HETATM   24  O   UNK A   0       0.820   0.342   1.465  1.00  0.00           O  
HETATM   25  C   UNK A   0       1.812  -1.066  -0.148  1.00  0.00           C  
HETATM   26  C   UNK A   0       3.090  -0.339   0.275  1.00  0.00           C  
HETATM   27  C   UNK A   0       5.506  -0.344  -0.281  1.00  0.00           C  
HETATM   28  C   UNK A   0       6.582  -0.834  -1.010  1.00  0.00           C  
HETATM   29  C   UNK A   0       7.847  -0.323  -0.797  1.00  0.00           C  
HETATM   30  C   UNK A   0       8.044   0.675   0.140  1.00  0.00           C  
HETATM   31  C   UNK A   0       6.974   1.165   0.867  1.00  0.00           C  
HETATM   32  C   UNK A   0       5.705   0.663   0.655  1.00  0.00           C  
HETATM   33  H   UNK A   0       0.140  -2.434  -0.945  1.00  0.00           H  
HETATM   34  H   UNK A   0      -1.429  -1.705  -1.369  1.00  0.00           H  
HETATM   35  H   UNK A   0      -0.892  -3.702   0.878  1.00  0.00           H  
HETATM   36  H   UNK A   0      -2.553  -3.848  -1.682  1.00  0.00           H  
HETATM   37  H   UNK A   0      -1.000  -4.672  -1.403  1.00  0.00           H  
HETATM   38  H   UNK A   0       4.085  -1.557  -1.151  1.00  0.00           H  
HETATM   39  H   UNK A   0      -4.450  -5.774   0.874  1.00  0.00           H  
HETATM   40  H   UNK A   0      -4.564  -4.489  -0.353  1.00  0.00           H  
HETATM   41  H   UNK A   0      -4.466  -3.533   1.934  1.00  0.00           H  
HETATM   42  H   UNK A   0      -2.914  -4.359   2.212  1.00  0.00           H  
HETATM   43  H   UNK A   0      -1.390   0.172   1.967  1.00  0.00           H  
ATOM     44  HA  HIS A   1      -3.881   2.040  -0.934  1.00  0.00           H  
ATOM     45  HD2 HIS A   1      -4.398   4.946  -0.308  1.00  0.00           H  
ATOM     46  HE1 HIS A   1      -1.228   5.409   2.412  1.00  0.00           H  
ATOM     47  H   HIS A   1      -3.592   1.606  -3.484  1.00  0.00           H  
ATOM     48  HB1 HIS A   1      -1.320   3.317  -1.992  1.00  0.00           H  
ATOM     49  HB2 HIS A   1      -2.964   3.881  -2.377  1.00  0.00           H  
ATOM     50  HD1 HIS A   1      -0.456   3.946   0.462  1.00  0.00           H  
ATOM     51  H   HIS A   1      -1.193   0.883  -0.958  1.00  0.00           H  
HETATM   52  H   UNK A   0      -3.117  -0.514  -0.454  1.00  0.00           H  
HETATM   53  H   UNK A   0      -3.516   0.641   0.840  1.00  0.00           H  
HETATM   54  H   UNK A   0      -1.790  -2.159   2.601  1.00  0.00           H  
HETATM   55  H   UNK A   0      -3.358  -1.352   2.356  1.00  0.00           H  
HETATM   56  H   UNK A   0      -3.461  -2.276   0.048  1.00  0.00           H  
HETATM   57  H   UNK A   0      -2.904  -6.211  -1.015  1.00  0.00           H  
HETATM   58  H   UNK A   0      -2.002  -5.919   0.492  1.00  0.00           H  
HETATM   59  H   UNK A   0       1.922  -2.134   0.041  1.00  0.00           H  
HETATM   60  H   UNK A   0       1.636  -0.902  -1.211  1.00  0.00           H  
HETATM   61  H   UNK A   0       3.267  -0.504   1.338  1.00  0.00           H  
HETATM   62  H   UNK A   0       2.981   0.728   0.086  1.00  0.00           H  
HETATM   63  H   UNK A   0       6.430  -1.613  -1.741  1.00  0.00           H  
HETATM   64  H   UNK A   0       8.685  -0.704  -1.363  1.00  0.00           H  
HETATM   65  H   UNK A   0       9.035   1.069   0.307  1.00  0.00           H  
HETATM   66  H   UNK A   0       7.131   1.945   1.597  1.00  0.00           H  
HETATM   67  H   UNK A   0       4.871   1.046   1.223  1.00  0.00           H  
CONECT    1   22    2   33   34                                       
CONECT    2    1   20    3   35                                       
CONECT    3    2   21   36   37                                       
CONECT    4   27   26   38                                            
CONECT    5    6   21   39   40                                       
CONECT    6   20    5   41   42                                       
CONECT    7   22   18   19   43                                       
CONECT    8   13   17   14   44                                       
CONECT    9   10   10   15   14                                       
CONECT   10   16    9    9   45                                       
CONECT   11   16   16   15   46                                       
CONECT   12   13   13                                                 
CONECT   13   12   12    8   47                                       
CONECT   14    9    8   48   49                                       
CONECT   15   11    9   50                                            
CONECT   16   10   11   11                                            
CONECT   17    8   18   51                                            
CONECT   18   17    7   52   53                                       
CONECT   19    7   20   54   55                                       
CONECT   20   19    2    6   56                                       
CONECT   21    3    5   57   58                                       
CONECT   22   23    7    1                                            
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   59   60                                       
CONECT   26    4   25   61   62                                       
CONECT   27   32   32   28    4                                       
CONECT   28   29   29   27   63                                       
CONECT   29   30   28   28   64                                       
CONECT   30   31   31   29   65                                       
CONECT   31   30   30   32   66                                       
CONECT   32   31   27   27   67                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
