COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O   HIS A   1      -3.866   0.109  -3.081  1.00  0.00           O  
ATOM      2  C   HIS A   1      -4.366  -0.946  -2.773  1.00  0.00           C  
ATOM      3  CA  HIS A   1      -4.396  -1.373  -1.328  1.00  0.00           C  
ATOM      4  CB  HIS A   1      -5.847  -1.562  -0.882  1.00  0.00           C  
ATOM      5  CG  HIS A   1      -5.875  -2.046   0.545  1.00  0.00           C  
ATOM      6  ND1 HIS A   1      -6.032  -1.275   1.665  1.00  0.00           N  
ATOM      7  CE1 HIS A   1      -5.998  -2.105   2.729  1.00  0.00           C  
ATOM      8  NE2 HIS A   1      -5.831  -3.326   2.302  1.00  0.00           N  
ATOM      9  CD2 HIS A   1      -5.758  -3.320   0.963  1.00  0.00           C  
ATOM     10  N   HIS A   1      -3.760  -0.340  -0.500  1.00  0.00           N  
HETATM   11  C   UNK A   0      -2.297  -0.467  -0.532  1.00  0.00           C  
HETATM   12  C   UNK A   0      -1.667   0.689   0.248  1.00  0.00           C  
HETATM   13  C   UNK A   0      -2.056   2.020  -0.403  1.00  0.00           C  
HETATM   14  C   UNK A   0      -1.316   3.163   0.296  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.730   4.493  -0.338  1.00  0.00           C  
HETATM   16  C   UNK A   0      -0.991   5.641   0.351  1.00  0.00           C  
HETATM   17  C   UNK A   0       0.518   5.447   0.183  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.933   4.120   0.821  1.00  0.00           C  
HETATM   19  C   UNK A   0       0.194   2.969   0.135  1.00  0.00           C  
HETATM   20  C   UNK A   0       0.608   1.646   0.789  1.00  0.00           C  
HETATM   21  N   UNK A   0      -0.204   0.562   0.222  1.00  0.00           N  
HETATM   22  C   UNK A   0       0.382  -0.529  -0.311  1.00  0.00           C  
HETATM   23  O   UNK A   0      -0.294  -1.369  -0.873  1.00  0.00           O  
HETATM   24  C   UNK A   0       1.846  -0.704  -0.212  1.00  0.00           C  
HETATM   25  C   UNK A   0       2.544  -0.158   0.868  1.00  0.00           C  
HETATM   26  C   UNK A   0       3.907  -0.326   0.962  1.00  0.00           C  
HETATM   27  C   UNK A   0       4.591  -1.042  -0.020  1.00  0.00           C  
HETATM   28  C   UNK A   0       3.895  -1.587  -1.099  1.00  0.00           C  
HETATM   29  C   UNK A   0       2.532  -1.421  -1.195  1.00  0.00           C  
HETATM   30  C   UNK A   0       6.059  -1.223   0.082  1.00  0.00           C  
HETATM   31  C   UNK A   0       6.746  -1.937  -0.898  1.00  0.00           C  
HETATM   32  C   UNK A   0       8.113  -2.102  -0.797  1.00  0.00           C  
HETATM   33  C   UNK A   0       8.800  -1.561   0.274  1.00  0.00           C  
HETATM   34  C   UNK A   0       8.124  -0.851   1.250  1.00  0.00           C  
HETATM   35  C   UNK A   0       6.759  -0.674   1.156  1.00  0.00           C  
ATOM     36  H   HIS A   1      -4.796  -1.582  -3.533  1.00  0.00           H  
ATOM     37  HA  HIS A   1      -3.856  -2.313  -1.216  1.00  0.00           H  
ATOM     38  HB1 HIS A   1      -6.376  -0.612  -0.954  1.00  0.00           H  
ATOM     39  HB2 HIS A   1      -6.332  -2.297  -1.525  1.00  0.00           H  
ATOM     40  HD1 HIS A   1      -6.145  -0.311   1.689  1.00  0.00           H  
ATOM     41  HE1 HIS A   1      -6.094  -1.807   3.763  1.00  0.00           H  
ATOM     42  HD2 HIS A   1      -5.621  -4.186   0.331  1.00  0.00           H  
ATOM     43  H   HIS A   1      -4.049   0.583  -0.787  1.00  0.00           H  
HETATM   44  H   UNK A   0      -2.004  -1.414  -0.078  1.00  0.00           H  
HETATM   45  H   UNK A   0      -1.952  -0.438  -1.566  1.00  0.00           H  
HETATM   46  H   UNK A   0      -2.020   0.670   1.279  1.00  0.00           H  
HETATM   47  H   UNK A   0      -1.783   2.001  -1.459  1.00  0.00           H  
HETATM   48  H   UNK A   0      -3.131   2.171  -0.308  1.00  0.00           H  
HETATM   49  H   UNK A   0      -1.572   3.169   1.355  1.00  0.00           H  
HETATM   50  H   UNK A   0      -1.479   4.484  -1.398  1.00  0.00           H  
HETATM   51  H   UNK A   0      -2.805   4.631  -0.221  1.00  0.00           H  
HETATM   52  H   UNK A   0      -1.288   6.588  -0.101  1.00  0.00           H  
HETATM   53  H   UNK A   0      -1.241   5.650   1.412  1.00  0.00           H  
HETATM   54  H   UNK A   0       0.767   5.435  -0.878  1.00  0.00           H  
HETATM   55  H   UNK A   0       1.046   6.266   0.671  1.00  0.00           H  
HETATM   56  H   UNK A   0       2.008   3.982   0.704  1.00  0.00           H  
HETATM   57  H   UNK A   0       0.682   4.133   1.881  1.00  0.00           H  
HETATM   58  H   UNK A   0       0.449   2.952  -0.924  1.00  0.00           H  
HETATM   59  H   UNK A   0       1.663   1.455   0.591  1.00  0.00           H  
HETATM   60  H   UNK A   0       0.444   1.704   1.865  1.00  0.00           H  
HETATM   61  H   UNK A   0       2.014   0.397   1.629  1.00  0.00           H  
HETATM   62  H   UNK A   0       4.446   0.096   1.797  1.00  0.00           H  
HETATM   63  H   UNK A   0       4.426  -2.141  -1.860  1.00  0.00           H  
HETATM   64  H   UNK A   0       1.993  -1.847  -2.028  1.00  0.00           H  
HETATM   65  H   UNK A   0       6.210  -2.361  -1.734  1.00  0.00           H  
HETATM   66  H   UNK A   0       8.646  -2.656  -1.556  1.00  0.00           H  
HETATM   67  H   UNK A   0       9.870  -1.693   0.349  1.00  0.00           H  
HETATM   68  H   UNK A   0       8.667  -0.426   2.081  1.00  0.00           H  
HETATM   69  H   UNK A   0       6.231  -0.119   1.918  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   36                                       
CONECT    3    2    4   10   37                                       
CONECT    4    5    3   38   39                                       
CONECT    5    9    9    6    4                                       
CONECT    6    7    5   40                                            
CONECT    7    8    8    6   41                                       
CONECT    8    9    7    7                                            
CONECT    9    8    5    5   42                                       
CONECT   10    3   11   43                                            
CONECT   11   10   12   44   45                                       
CONECT   12   11   21   13   46                                       
CONECT   13   12   14   47   48                                       
CONECT   14   13   19   15   49                                       
CONECT   15   14   16   50   51                                       
CONECT   16   15   17   52   53                                       
CONECT   17   18   16   54   55                                       
CONECT   18   19   17   56   57                                       
CONECT   19   20   14   18   58                                       
CONECT   20   21   19   59   60                                       
CONECT   21   22   12   20                                            
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   29   29   22                                       
CONECT   25   26   26   24   61                                       
CONECT   26   25   25   27   62                                       
CONECT   27   26   30   28   28                                       
CONECT   28   27   27   29   63                                       
CONECT   29   24   24   28   64                                       
CONECT   30   35   27   31   31                                       
CONECT   31   30   30   32   65                                       
CONECT   32   33   33   31   66                                       
CONECT   33   34   32   32   67                                       
CONECT   34   35   35   33   68                                       
CONECT   35   34   34   30   69                                       
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
