COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0       2.864  -2.099  -1.435  1.00  0.00           O  
HETATM    2  C   UNK A   0       2.234  -1.484  -0.595  1.00  0.00           C  
ATOM      3  N   TYR A   1       2.873  -0.935   0.458  1.00  0.00           N  
ATOM      4  CA  TYR A   1       4.325  -1.080   0.590  1.00  0.00           C  
ATOM      5  CB  TYR A   1       4.878   0.073   1.430  1.00  0.00           C  
ATOM      6  CG  TYR A   1       4.672   1.373   0.696  1.00  0.00           C  
ATOM      7  CD2 TYR A   1       3.510   2.097   0.887  1.00  0.00           C  
ATOM      8  CE2 TYR A   1       3.318   3.288   0.214  1.00  0.00           C  
ATOM      9  CZ  TYR A   1       4.294   3.759  -0.652  1.00  0.00           C  
ATOM     10  OH  TYR A   1       4.109   4.931  -1.314  1.00  0.00           O  
ATOM     11  CE1 TYR A   1       5.460   3.031  -0.841  1.00  0.00           C  
ATOM     12  CD1 TYR A   1       5.649   1.842  -0.162  1.00  0.00           C  
ATOM     13  C   TYR A   1       4.639  -2.390   1.266  1.00  0.00           C  
ATOM     14  O   TYR A   1       3.743  -3.127   1.603  1.00  0.00           O  
ATOM     15  OXT TYR A   1       5.915  -2.738   1.495  1.00  0.00           O  
HETATM   16  C   UNK A   0       0.783  -1.334  -0.731  1.00  0.00           C  
HETATM   17  C   UNK A   0       0.011  -1.836  -1.744  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.578  -2.636  -2.888  1.00  0.00           C  
HETATM   19  N   UNK A   0      -1.261  -1.561  -1.630  1.00  0.00           N  
HETATM   20  C   UNK A   0      -1.631  -0.862  -0.595  1.00  0.00           C  
HETATM   21  C   UNK A   0      -3.023  -0.459  -0.304  1.00  0.00           C  
HETATM   22  C   UNK A   0      -4.055  -0.828  -1.169  1.00  0.00           C  
HETATM   23  C   UNK A   0      -5.352  -0.449  -0.891  1.00  0.00           C  
HETATM   24  C   UNK A   0      -5.631   0.296   0.241  1.00  0.00           C  
HETATM   25  C   UNK A   0      -7.050   0.712   0.534  1.00  0.00           C  
HETATM   26  F   UNK A   0      -7.228   0.819   1.917  1.00  0.00           F  
HETATM   27  F   UNK A   0      -7.306   1.950  -0.067  1.00  0.00           F  
HETATM   28  F   UNK A   0      -7.932  -0.246   0.022  1.00  0.00           F  
HETATM   29  C   UNK A   0      -4.613   0.665   1.102  1.00  0.00           C  
HETATM   30  C   UNK A   0      -3.313   0.287   0.840  1.00  0.00           C  
HETATM   31  S   UNK A   0      -0.282  -0.481   0.384  1.00  0.00           S  
ATOM     32  H   TYR A   1       2.371  -0.445   1.127  1.00  0.00           H  
ATOM     33  HA  TYR A   1       4.784  -1.062  -0.398  1.00  0.00           H  
ATOM     34  HB1 TYR A   1       4.355   0.109   2.386  1.00  0.00           H  
ATOM     35  HB2 TYR A   1       5.943  -0.082   1.604  1.00  0.00           H  
ATOM     36  HD2 TYR A   1       2.750   1.730   1.561  1.00  0.00           H  
ATOM     37  HE2 TYR A   1       2.410   3.853   0.363  1.00  0.00           H  
ATOM     38  HH  TYR A   1       4.437   5.707  -0.839  1.00  0.00           H  
ATOM     39  HE1 TYR A   1       6.223   3.397  -1.512  1.00  0.00           H  
ATOM     40  HD1 TYR A   1       6.556   1.276  -0.309  1.00  0.00           H  
ATOM     41  HXT TYR A   1       6.068  -3.587   1.931  1.00  0.00           H  
HETATM   42  H   UNK A   0       0.576  -3.694  -2.629  1.00  0.00           H  
HETATM   43  H   UNK A   0      -0.031  -2.478  -3.779  1.00  0.00           H  
HETATM   44  H   UNK A   0       1.600  -2.312  -3.086  1.00  0.00           H  
HETATM   45  H   UNK A   0      -3.838  -1.409  -2.053  1.00  0.00           H  
HETATM   46  H   UNK A   0      -6.151  -0.734  -1.560  1.00  0.00           H  
HETATM   47  H   UNK A   0      -4.838   1.247   1.984  1.00  0.00           H  
HETATM   48  H   UNK A   0      -2.519   0.576   1.513  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   16    3    1    1                                       
CONECT    3    2    4   32                                            
CONECT    4    3   13    5   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6   12    5    7    7                                       
CONECT    7    6    6    8   36                                       
CONECT    8    9    9    7   37                                       
CONECT    9   11   10    8    8                                       
CONECT   10    9   38                                                 
CONECT   11   12   12    9   39                                       
CONECT   12   11   11    6   40                                       
CONECT   13   14   14    4   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   41                                                 
CONECT   16   17   17   31    2                                       
CONECT   17   19   18   16   16                                       
CONECT   18   17   42   43   44                                       
CONECT   19   20   20   17                                            
CONECT   20   21   19   19   31                                       
CONECT   21   30   30   22   20                                       
CONECT   22   23   23   21   45                                       
CONECT   23   24   22   22   46                                       
CONECT   24   25   29   29   23                                       
CONECT   25   26   28   27   24                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   24   24   30   47                                       
CONECT   30   29   21   21   48                                       
CONECT   31   20   16                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
