COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -1.158  -0.163   1.431  1.00  0.00           C  
ATOM      2  O   HIS A   1       5.192   2.190   2.002  1.00  0.00           O  
HETATM    3  C   UNK A   0      -1.473   0.413   0.198  1.00  0.00           C  
HETATM    4  C   UNK A   0      -2.788   0.511  -0.199  1.00  0.00           C  
HETATM    5  C   UNK A   0      -3.805   0.035   0.629  1.00  0.00           C  
HETATM    6  C   UNK A   0      -5.220   0.142   0.201  1.00  0.00           C  
HETATM    7  C   UNK A   0      -5.537   0.712  -1.031  1.00  0.00           C  
ATOM      8  C   HIS A   1       5.071   2.641   0.888  1.00  0.00           C  
ATOM      9  CA  HIS A   1       3.879   2.263   0.048  1.00  0.00           C  
ATOM     10  CB  HIS A   1       3.086   3.522  -0.310  1.00  0.00           C  
ATOM     11  CG  HIS A   1       1.966   3.160  -1.250  1.00  0.00           C  
ATOM     12  ND1 HIS A   1       0.670   2.883  -0.907  1.00  0.00           N  
ATOM     13  CE1 HIS A   1       0.004   2.611  -2.050  1.00  0.00           C  
ATOM     14  NE2 HIS A   1       0.834   2.712  -3.052  1.00  0.00           N  
ATOM     15  CD2 HIS A   1       2.046   3.054  -2.590  1.00  0.00           C  
ATOM     16  N   HIS A   1       3.019   1.341   0.803  1.00  0.00           N  
HETATM   17  C   UNK A   0       3.481  -0.046   0.660  1.00  0.00           C  
HETATM   18  C   UNK A   0       2.563  -0.974   1.459  1.00  0.00           C  
HETATM   19  C   UNK A   0       2.965  -2.431   1.212  1.00  0.00           C  
HETATM   20  C   UNK A   0       2.719  -2.784  -0.257  1.00  0.00           C  
HETATM   21  C   UNK A   0       3.150  -4.232  -0.505  1.00  0.00           C  
HETATM   22  C   UNK A   0       2.902  -4.596  -1.970  1.00  0.00           C  
HETATM   23  C   UNK A   0       1.412  -4.450  -2.284  1.00  0.00           C  
HETATM   24  C   UNK A   0       0.981  -3.002  -2.041  1.00  0.00           C  
HETATM   25  C   UNK A   0       1.230  -2.633  -0.576  1.00  0.00           C  
HETATM   26  C   UNK A   0       0.806  -1.178  -0.346  1.00  0.00           C  
HETATM   27  N   UNK A   0       1.173  -0.788   1.021  1.00  0.00           N  
HETATM   28  C   UNK A   0       0.252  -0.269   1.858  1.00  0.00           C  
HETATM   29  O   UNK A   0       0.583   0.112   2.964  1.00  0.00           O  
HETATM   30  C   UNK A   0      -2.177  -0.635   2.262  1.00  0.00           C  
HETATM   31  C   UNK A   0      -3.490  -0.541   1.860  1.00  0.00           C  
HETATM   32  C   UNK A   0      -6.239  -0.333   1.026  1.00  0.00           C  
HETATM   33  C   UNK A   0      -7.554  -0.231   0.621  1.00  0.00           C  
HETATM   34  C   UNK A   0      -7.863   0.340  -0.600  1.00  0.00           C  
HETATM   35  C   UNK A   0      -6.856   0.808  -1.425  1.00  0.00           C  
HETATM   36  H   UNK A   0      -0.687   0.783  -0.443  1.00  0.00           H  
HETATM   37  H   UNK A   0      -3.032   0.957  -1.152  1.00  0.00           H  
HETATM   38  H   UNK A   0      -4.752   1.078  -1.676  1.00  0.00           H  
ATOM     39  H   HIS A   1       5.817   3.316   0.495  1.00  0.00           H  
ATOM     40  HA  HIS A   1       4.219   1.776  -0.866  1.00  0.00           H  
ATOM     41  HB1 HIS A   1       2.672   3.960   0.598  1.00  0.00           H  
ATOM     42  HB2 HIS A   1       3.747   4.242  -0.792  1.00  0.00           H  
ATOM     43  HD1 HIS A   1       0.300   2.881  -0.011  1.00  0.00           H  
ATOM     44  HE1 HIS A   1      -1.042   2.352  -2.122  1.00  0.00           H  
ATOM     45  HD2 HIS A   1       2.932   3.210  -3.188  1.00  0.00           H  
ATOM     46  H   HIS A   1       2.970   1.608   1.775  1.00  0.00           H  
HETATM   47  H   UNK A   0       3.458  -0.330  -0.392  1.00  0.00           H  
HETATM   48  H   UNK A   0       4.500  -0.130   1.037  1.00  0.00           H  
HETATM   49  H   UNK A   0       2.648  -0.746   2.522  1.00  0.00           H  
HETATM   50  H   UNK A   0       4.022  -2.561   1.445  1.00  0.00           H  
HETATM   51  H   UNK A   0       2.370  -3.085   1.849  1.00  0.00           H  
HETATM   52  H   UNK A   0       3.299  -2.117  -0.894  1.00  0.00           H  
HETATM   53  H   UNK A   0       4.211  -4.338  -0.279  1.00  0.00           H  
HETATM   54  H   UNK A   0       2.574  -4.898   0.138  1.00  0.00           H  
HETATM   55  H   UNK A   0       3.477  -3.929  -2.613  1.00  0.00           H  
HETATM   56  H   UNK A   0       3.211  -5.626  -2.145  1.00  0.00           H  
HETATM   57  H   UNK A   0       1.233  -4.711  -3.327  1.00  0.00           H  
HETATM   58  H   UNK A   0       0.837  -5.114  -1.639  1.00  0.00           H  
HETATM   59  H   UNK A   0       1.557  -2.338  -2.685  1.00  0.00           H  
HETATM   60  H   UNK A   0      -0.080  -2.896  -2.266  1.00  0.00           H  
HETATM   61  H   UNK A   0       0.649  -3.292   0.069  1.00  0.00           H  
HETATM   62  H   UNK A   0       1.318  -0.532  -1.060  1.00  0.00           H  
HETATM   63  H   UNK A   0      -0.272  -1.087  -0.478  1.00  0.00           H  
HETATM   64  H   UNK A   0      -1.934  -1.081   3.215  1.00  0.00           H  
HETATM   65  H   UNK A   0      -4.278  -0.909   2.501  1.00  0.00           H  
HETATM   66  H   UNK A   0      -5.998  -0.779   1.979  1.00  0.00           H  
HETATM   67  H   UNK A   0      -8.344  -0.599   1.260  1.00  0.00           H  
HETATM   68  H   UNK A   0      -8.894   0.416  -0.913  1.00  0.00           H  
HETATM   69  H   UNK A   0      -7.103   1.249  -2.379  1.00  0.00           H  
CONECT    1   30   30    3   28                                       
CONECT    2    8    8                                                 
CONECT    3    4    4    1   36                                       
CONECT    4    5    3    3   37                                       
CONECT    5    6   31   31    4                                       
CONECT    6    7    5   32   32                                       
CONECT    7   35   35    6   38                                       
CONECT    8    2    2    9   39                                       
CONECT    9    8   10   16   40                                       
CONECT   10   11    9   41   42                                       
CONECT   11   15   15   12   10                                       
CONECT   12   13   11   43                                            
CONECT   13   14   14   12   44                                       
CONECT   14   15   13   13                                            
CONECT   15   14   11   11   45                                       
CONECT   16    9   17   46                                            
CONECT   17   16   18   47   48                                       
CONECT   18   27   17   19   49                                       
CONECT   19   18   20   50   51                                       
CONECT   20   19   25   21   52                                       
CONECT   21   20   22   53   54                                       
CONECT   22   21   23   55   56                                       
CONECT   23   24   22   57   58                                       
CONECT   24   25   23   59   60                                       
CONECT   25   26   20   24   61                                       
CONECT   26   27   25   62   63                                       
CONECT   27   28   18   26                                            
CONECT   28   29   29    1   27                                       
CONECT   29   28   28                                                 
CONECT   30   31    1    1   64                                       
CONECT   31    5    5   30   65                                       
CONECT   32    6    6   33   66                                       
CONECT   33   34   34   32   67                                       
CONECT   34   35   33   33   68                                       
CONECT   35    7    7   34   69                                       
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   30                                                      
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
