COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  CD1 HIS A   1      -2.673  -2.787   1.613  1.00  0.00           C  
ATOM      2  CE1 HIS A   1      -1.467  -3.292   2.059  1.00  0.00           C  
ATOM      3  CZ  HIS A   1      -0.908  -4.399   1.438  1.00  0.00           C  
ATOM      4  OH  HIS A   1       0.279  -4.898   1.875  1.00  0.00           O  
ATOM      5  CE2 HIS A   1      -1.561  -4.997   0.370  1.00  0.00           C  
ATOM      6  CD2 HIS A   1      -2.767  -4.488  -0.072  1.00  0.00           C  
ATOM      7  CG  HIS A   1      -3.323  -3.385   0.549  1.00  0.00           C  
ATOM      8  CB  HIS A   1      -4.639  -2.832   0.065  1.00  0.00           C  
ATOM      9  CA  HIS A   1      -4.383  -1.777  -1.013  1.00  0.00           C  
ATOM     10  C   HIS A   1      -5.699  -1.314  -1.584  1.00  0.00           C  
ATOM     11  OXT HIS A   1      -6.520  -2.193  -2.179  1.00  0.00           O  
ATOM     12  O   HIS A   1      -6.015  -0.150  -1.506  1.00  0.00           O  
ATOM     13  N   HIS A   1      -3.678  -0.637  -0.424  1.00  0.00           N  
ATOM     14  C   HIS A   1      -2.914   0.157  -1.200  1.00  0.00           C  
ATOM     15  O   HIS A   1      -2.810  -0.072  -2.386  1.00  0.00           O  
ATOM     16  CA  HIS A   1      -2.188   1.330  -0.593  1.00  0.00           C  
ATOM     17  CB  HIS A   1      -3.202   2.290   0.032  1.00  0.00           C  
ATOM     18  CG  HIS A   1      -2.472   3.367   0.792  1.00  0.00           C  
ATOM     19  CD1 HIS A   1      -2.104   4.536   0.151  1.00  0.00           C  
ATOM     20  CE1 HIS A   1      -1.434   5.524   0.848  1.00  0.00           C  
ATOM     21  CZ  HIS A   1      -1.132   5.344   2.185  1.00  0.00           C  
ATOM     22  CE2 HIS A   1      -1.501   4.175   2.825  1.00  0.00           C  
ATOM     23  CD2 HIS A   1      -2.176   3.190   2.130  1.00  0.00           C  
ATOM     24  N   HIS A   1      -1.433   2.029  -1.636  1.00  0.00           N  
HETATM   25  C   UNK A   0      -2.142   2.740  -2.703  1.00  0.00           C  
ATOM     26  C   HIS A   1      -0.085   2.018  -1.614  1.00  0.00           C  
ATOM     27  O   HIS A   1       0.540   2.690  -2.408  1.00  0.00           O  
ATOM     28  CA  HIS A   1       0.645   1.171  -0.604  1.00  0.00           C  
ATOM     29  CB  HIS A   1       0.438   1.754   0.795  1.00  0.00           C  
ATOM     30  CG  HIS A   1       1.027   0.820   1.821  1.00  0.00           C  
ATOM     31  CD2 HIS A   1       1.942   1.144   2.754  1.00  0.00           C  
ATOM     32  NE2 HIS A   1       2.197   0.006   3.471  1.00  0.00           N  
ATOM     33  CE1 HIS A   1       1.428  -0.974   2.951  1.00  0.00           C  
ATOM     34  ND1 HIS A   1       0.727  -0.479   1.967  1.00  0.00           N  
ATOM     35  N   HIS A   1       2.076   1.158  -0.921  1.00  0.00           N  
HETATM   36  C   UNK A   0       2.845   0.127  -0.519  1.00  0.00           C  
HETATM   37  O   UNK A   0       2.353  -0.791   0.107  1.00  0.00           O  
HETATM   38  O   UNK A   0       4.160   0.116  -0.810  1.00  0.00           O  
HETATM   39  C   UNK A   0       4.928  -1.026  -0.345  1.00  0.00           C  
HETATM   40  C   UNK A   0       6.367  -0.866  -0.761  1.00  0.00           C  
HETATM   41  C   UNK A   0       7.260  -0.219   0.074  1.00  0.00           C  
HETATM   42  C   UNK A   0       8.580  -0.072  -0.308  1.00  0.00           C  
HETATM   43  C   UNK A   0       9.008  -0.572  -1.524  1.00  0.00           C  
HETATM   44  C   UNK A   0       8.116  -1.219  -2.358  1.00  0.00           C  
HETATM   45  C   UNK A   0       6.797  -1.371  -1.974  1.00  0.00           C  
ATOM     46  HD1 HIS A   1      -3.111  -1.928   2.099  1.00  0.00           H  
ATOM     47  HE1 HIS A   1      -0.960  -2.825   2.890  1.00  0.00           H  
ATOM     48  HH  HIS A   1       0.192  -5.573   2.562  1.00  0.00           H  
ATOM     49  HE2 HIS A   1      -1.128  -5.859  -0.115  1.00  0.00           H  
ATOM     50  HD2 HIS A   1      -3.277  -4.953  -0.903  1.00  0.00           H  
ATOM     51  HB1 HIS A   1      -5.241  -3.640  -0.352  1.00  0.00           H  
ATOM     52  HB2 HIS A   1      -5.171  -2.376   0.900  1.00  0.00           H  
ATOM     53  HA  HIS A   1      -3.775  -2.210  -1.808  1.00  0.00           H  
ATOM     54  HXT HIS A   1      -7.353  -1.849  -2.530  1.00  0.00           H  
ATOM     55  H   HIS A   1      -3.760  -0.453   0.525  1.00  0.00           H  
ATOM     56  HA  HIS A   1      -1.502   0.975   0.176  1.00  0.00           H  
ATOM     57  HB1 HIS A   1      -3.805   2.744  -0.754  1.00  0.00           H  
ATOM     58  HB2 HIS A   1      -3.850   1.740   0.714  1.00  0.00           H  
ATOM     59  HD1 HIS A   1      -2.339   4.676  -0.893  1.00  0.00           H  
ATOM     60  HE1 HIS A   1      -1.145   6.437   0.348  1.00  0.00           H  
ATOM     61  HZ  HIS A   1      -0.608   6.115   2.729  1.00  0.00           H  
ATOM     62  HE2 HIS A   1      -1.265   4.035   3.870  1.00  0.00           H  
ATOM     63  HD2 HIS A   1      -2.464   2.277   2.630  1.00  0.00           H  
HETATM   64  H   UNK A   0      -2.384   3.749  -2.368  1.00  0.00           H  
HETATM   65  H   UNK A   0      -1.508   2.794  -3.588  1.00  0.00           H  
HETATM   66  H   UNK A   0      -3.061   2.207  -2.945  1.00  0.00           H  
ATOM     67  HA  HIS A   1       0.257   0.153  -0.635  1.00  0.00           H  
ATOM     68  HB1 HIS A   1       0.932   2.724   0.862  1.00  0.00           H  
ATOM     69  HB2 HIS A   1      -0.628   1.875   0.984  1.00  0.00           H  
ATOM     70  HD2 HIS A   1       2.390   2.115   2.906  1.00  0.00           H  
ATOM     71  HE1 HIS A   1       1.395  -1.998   3.295  1.00  0.00           H  
ATOM     72  H   HIS A   1       2.469   1.891  -1.420  1.00  0.00           H  
HETATM   73  H   UNK A   0       4.868  -1.086   0.742  1.00  0.00           H  
HETATM   74  H   UNK A   0       4.523  -1.939  -0.782  1.00  0.00           H  
HETATM   75  H   UNK A   0       6.925   0.172   1.023  1.00  0.00           H  
HETATM   76  H   UNK A   0       9.278   0.434   0.344  1.00  0.00           H  
HETATM   77  H   UNK A   0      10.040  -0.457  -1.822  1.00  0.00           H  
HETATM   78  H   UNK A   0       8.450  -1.609  -3.308  1.00  0.00           H  
HETATM   79  H   UNK A   0       6.099  -1.877  -2.625  1.00  0.00           H  
ATOM     80  HE2 HIS A   1       2.814  -0.079   4.214  1.00  0.00           H  
CONECT    1    2    2    7   46                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   48                                                 
CONECT    5    3    3    6   49                                       
CONECT    6    5    7    7   50                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   13   10   53                                       
CONECT   10    9   12   12   11                                       
CONECT   11   10   54                                                 
CONECT   12   10   10                                                 
CONECT   13    9   14   55                                            
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   24   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   59                                       
CONECT   20   19   21   21   60                                       
CONECT   21   20   20   22   61                                       
CONECT   22   21   23   23   62                                       
CONECT   23   18   22   22   63                                       
CONECT   24   16   25   26                                            
CONECT   25   24   64   65   66                                       
CONECT   26   24   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   35   29   67                                       
CONECT   29   28   30   68   69                                       
CONECT   30   29   34   31   31                                       
CONECT   31   30   30   32   70                                       
CONECT   32   31   33   80                                            
CONECT   33   32   34   34   71                                       
CONECT   34   30   33   33                                            
CONECT   35   28   36   72                                            
CONECT   36   35   38   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   36   39                                                 
CONECT   39   38   40   73   74                                       
CONECT   40   39   45   45   41                                       
CONECT   41   40   42   42   75                                       
CONECT   42   41   41   43   76                                       
CONECT   43   42   44   44   77                                       
CONECT   44   43   43   45   78                                       
CONECT   45   40   40   44   79                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   32                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
