COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       1.334   0.086   1.344  1.00  0.00           C  
HETATM    2  C   UNK A   0       1.600  -0.465   0.089  1.00  0.00           C  
HETATM    3  C   UNK A   0       2.902  -0.565  -0.354  1.00  0.00           C  
HETATM    4  C   UNK A   0       3.944  -0.121   0.442  1.00  0.00           C  
HETATM    5  C   UNK A   0       3.686   0.426   1.688  1.00  0.00           C  
HETATM    6  C   UNK A   0       2.388   0.537   2.140  1.00  0.00           C  
HETATM    7  C   UNK A   0      -0.680   1.179  -0.330  1.00  0.00           C  
ATOM      8  O   HIS A   1      -5.020  -2.192   2.087  1.00  0.00           O  
ATOM      9  C   HIS A   1      -4.953  -2.607   0.955  1.00  0.00           C  
ATOM     10  CA  HIS A   1      -3.793  -2.216   0.076  1.00  0.00           C  
ATOM     11  CB  HIS A   1      -3.036  -3.473  -0.357  1.00  0.00           C  
ATOM     12  CG  HIS A   1      -1.951  -3.095  -1.333  1.00  0.00           C  
ATOM     13  ND1 HIS A   1      -0.638  -2.846  -1.038  1.00  0.00           N  
ATOM     14  CE1 HIS A   1      -0.018  -2.545  -2.199  1.00  0.00           C  
ATOM     15  NE2 HIS A   1      -0.891  -2.601  -3.167  1.00  0.00           N  
ATOM     16  CD2 HIS A   1      -2.087  -2.942  -2.664  1.00  0.00           C  
ATOM     17  N   HIS A   1      -2.888  -1.332   0.824  1.00  0.00           N  
HETATM   18  C   UNK A   0      -3.335   0.065   0.747  1.00  0.00           C  
HETATM   19  C   UNK A   0      -2.370   0.953   1.536  1.00  0.00           C  
HETATM   20  C   UNK A   0      -2.754   2.424   1.346  1.00  0.00           C  
HETATM   21  C   UNK A   0      -2.555   2.818  -0.125  1.00  0.00           C  
HETATM   22  C   UNK A   0      -2.969   4.279  -0.315  1.00  0.00           C  
HETATM   23  C   UNK A   0      -2.769   4.683  -1.776  1.00  0.00           C  
HETATM   24  C   UNK A   0      -1.294   4.520  -2.151  1.00  0.00           C  
HETATM   25  C   UNK A   0      -0.880   3.052  -1.966  1.00  0.00           C  
HETATM   26  C   UNK A   0      -1.082   2.647  -0.504  1.00  0.00           C  
HETATM   27  N   UNK A   0      -1.001   0.755   1.039  1.00  0.00           N  
HETATM   28  C   UNK A   0      -0.060   0.196   1.825  1.00  0.00           C  
HETATM   29  O   UNK A   0      -0.356  -0.217   2.929  1.00  0.00           O  
HETATM   30 BR   UNK A   0       5.726  -0.262  -0.173  1.00  0.00          Br  
HETATM   31  H   UNK A   0       0.788  -0.813  -0.533  1.00  0.00           H  
HETATM   32  H   UNK A   0       3.110  -0.991  -1.325  1.00  0.00           H  
HETATM   33  H   UNK A   0       4.503   0.770   2.305  1.00  0.00           H  
HETATM   34  H   UNK A   0       2.187   0.968   3.110  1.00  0.00           H  
HETATM   35  H   UNK A   0      -1.230   0.563  -1.041  1.00  0.00           H  
HETATM   36  H   UNK A   0       0.390   1.070  -0.504  1.00  0.00           H  
ATOM     37  H   HIS A   1      -5.725  -3.257   0.572  1.00  0.00           H  
ATOM     38  HA  HIS A   1      -4.165  -1.694  -0.805  1.00  0.00           H  
ATOM     39  HB1 HIS A   1      -2.589  -3.947   0.517  1.00  0.00           H  
ATOM     40  HB2 HIS A   1      -3.727  -4.168  -0.834  1.00  0.00           H  
ATOM     41  HD1 HIS A   1      -0.229  -2.880  -0.159  1.00  0.00           H  
ATOM     42  HE1 HIS A   1       1.028  -2.297  -2.308  1.00  0.00           H  
ATOM     43  HD2 HIS A   1      -3.000  -3.065  -3.227  1.00  0.00           H  
ATOM     44  H   HIS A   1      -1.939  -1.427   0.496  1.00  0.00           H  
HETATM   45  H   UNK A   0      -3.353   0.384  -0.295  1.00  0.00           H  
HETATM   46  H   UNK A   0      -4.336   0.150   1.171  1.00  0.00           H  
HETATM   47  H   UNK A   0      -2.417   0.694   2.593  1.00  0.00           H  
HETATM   48  H   UNK A   0      -3.799   2.565   1.623  1.00  0.00           H  
HETATM   49  H   UNK A   0      -2.122   3.048   1.977  1.00  0.00           H  
HETATM   50  H   UNK A   0      -3.170   2.180  -0.759  1.00  0.00           H  
HETATM   51  H   UNK A   0      -4.019   4.396  -0.046  1.00  0.00           H  
HETATM   52  H   UNK A   0      -2.358   4.916   0.325  1.00  0.00           H  
HETATM   53  H   UNK A   0      -3.379   4.045  -2.417  1.00  0.00           H  
HETATM   54  H   UNK A   0      -3.066   5.723  -1.910  1.00  0.00           H  
HETATM   55  H   UNK A   0      -1.149   4.810  -3.192  1.00  0.00           H  
HETATM   56  H   UNK A   0      -0.684   5.155  -1.508  1.00  0.00           H  
HETATM   57  H   UNK A   0      -1.492   2.419  -2.608  1.00  0.00           H  
HETATM   58  H   UNK A   0       0.170   2.934  -2.234  1.00  0.00           H  
HETATM   59  H   UNK A   0      -0.465   3.273   0.140  1.00  0.00           H  
CONECT    1    2   28    6    6                                       
CONECT    2    3    3    1   31                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3   30    5    5                                       
CONECT    5    4    4    6   33                                       
CONECT    6    1    1    5   34                                       
CONECT    7   27   26   35   36                                       
CONECT    8    9    9                                                 
CONECT    9   10    8    8   37                                       
CONECT   10   17   11    9   38                                       
CONECT   11   12   10   39   40                                       
CONECT   12   16   16   13   11                                       
CONECT   13   14   12   41                                            
CONECT   14   15   15   13   42                                       
CONECT   15   16   14   14                                            
CONECT   16   15   12   12   43                                       
CONECT   17   18   10   44                                            
CONECT   18   19   17   45   46                                       
CONECT   19   20   27   18   47                                       
CONECT   20   19   21   48   49                                       
CONECT   21   22   20   26   50                                       
CONECT   22   23   21   51   52                                       
CONECT   23   22   24   53   54                                       
CONECT   24   23   25   55   56                                       
CONECT   25   26   24   57   58                                       
CONECT   26   21    7   25   59                                       
CONECT   27   28   19    7                                            
CONECT   28   29   29    1   27                                       
CONECT   29   28   28                                                 
CONECT   30    4                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
