COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       3.487   2.494  -0.374  1.00  0.00           C  
HETATM    2  C   UNK A   0       2.759   3.820  -0.623  1.00  0.00           C  
HETATM    3  C   UNK A   0       1.873   4.146   0.583  1.00  0.00           C  
HETATM    4  C   UNK A   0       1.351   5.554   0.457  1.00  0.00           C  
HETATM    5  O   UNK A   0       0.160   5.754   0.410  1.00  0.00           O  
HETATM    6  O   UNK A   0       2.208   6.585   0.396  1.00  0.00           O  
HETATM    7  C   UNK A   0       0.696   3.166   0.630  1.00  0.00           C  
HETATM    8  C   UNK A   0       1.235   1.760   0.513  1.00  0.00           C  
HETATM    9  C   UNK A   0       2.476   1.467   0.067  1.00  0.00           C  
HETATM   10  C   UNK A   0       2.612   0.025   0.105  1.00  0.00           C  
HETATM   11  C   UNK A   0       3.660  -0.837  -0.232  1.00  0.00           C  
HETATM   12  C   UNK A   0       3.432  -2.191  -0.063  1.00  0.00           C  
HETATM   13 BR   UNK A   0       4.806  -3.415  -0.499  1.00  0.00          Br  
HETATM   14  C   UNK A   0       2.226  -2.677   0.417  1.00  0.00           C  
HETATM   15  C   UNK A   0       1.176  -1.841   0.756  1.00  0.00           C  
HETATM   16  C   UNK A   0       1.378  -0.472   0.596  1.00  0.00           C  
HETATM   17  N   UNK A   0       0.571   0.604   0.830  1.00  0.00           N  
HETATM   18  C   UNK A   0      -0.799   0.534   1.345  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.764   0.430   0.192  1.00  0.00           C  
HETATM   20  O   UNK A   0      -1.348   0.415  -0.948  1.00  0.00           O  
ATOM     21  N   PHE A   1      -3.089   0.352   0.426  1.00  0.00           N  
ATOM     22  CA  PHE A   1      -4.027   0.251  -0.694  1.00  0.00           C  
ATOM     23  C   PHE A   1      -4.345   1.631  -1.209  1.00  0.00           C  
ATOM     24  OXT PHE A   1      -5.189   1.784  -2.241  1.00  0.00           O  
ATOM     25  O   PHE A   1      -3.841   2.600  -0.693  1.00  0.00           O  
ATOM     26  CB  PHE A   1      -5.315  -0.427  -0.222  1.00  0.00           C  
ATOM     27  CG  PHE A   1      -5.016  -1.849   0.178  1.00  0.00           C  
ATOM     28  CD2 PHE A   1      -4.659  -2.140   1.481  1.00  0.00           C  
ATOM     29  CE2 PHE A   1      -4.385  -3.444   1.848  1.00  0.00           C  
ATOM     30  CZ  PHE A   1      -4.468  -4.458   0.911  1.00  0.00           C  
ATOM     31  CE1 PHE A   1      -4.826  -4.167  -0.392  1.00  0.00           C  
ATOM     32  CD1 PHE A   1      -5.106  -2.863  -0.757  1.00  0.00           C  
HETATM   33  H   UNK A   0       3.968   2.162  -1.294  1.00  0.00           H  
HETATM   34  H   UNK A   0       4.238   2.626   0.405  1.00  0.00           H  
HETATM   35  H   UNK A   0       3.491   4.616  -0.762  1.00  0.00           H  
HETATM   36  H   UNK A   0       2.141   3.734  -1.516  1.00  0.00           H  
HETATM   37  H   UNK A   0       2.458   4.056   1.498  1.00  0.00           H  
HETATM   38  H   UNK A   0       1.826   7.470   0.315  1.00  0.00           H  
HETATM   39  H   UNK A   0       0.165   3.277   1.575  1.00  0.00           H  
HETATM   40  H   UNK A   0       0.018   3.368  -0.199  1.00  0.00           H  
HETATM   41  H   UNK A   0       4.602  -0.464  -0.607  1.00  0.00           H  
HETATM   42  H   UNK A   0       2.101  -3.744   0.529  1.00  0.00           H  
HETATM   43  H   UNK A   0       0.241  -2.234   1.128  1.00  0.00           H  
HETATM   44  H   UNK A   0      -0.902  -0.342   1.985  1.00  0.00           H  
HETATM   45  H   UNK A   0      -1.018   1.433   1.921  1.00  0.00           H  
ATOM     46  H   PHE A   1      -3.421   0.363   1.338  1.00  0.00           H  
ATOM     47  HA  PHE A   1      -3.577  -0.340  -1.492  1.00  0.00           H  
ATOM     48  HXT PHE A   1      -5.363   2.688  -2.536  1.00  0.00           H  
ATOM     49  HB1 PHE A   1      -5.717   0.114   0.634  1.00  0.00           H  
ATOM     50  HB2 PHE A   1      -6.045  -0.423  -1.031  1.00  0.00           H  
ATOM     51  HD2 PHE A   1      -4.594  -1.348   2.213  1.00  0.00           H  
ATOM     52  HE2 PHE A   1      -4.106  -3.671   2.866  1.00  0.00           H  
ATOM     53  HZ  PHE A   1      -4.254  -5.477   1.198  1.00  0.00           H  
ATOM     54  HE1 PHE A   1      -4.890  -4.958  -1.124  1.00  0.00           H  
ATOM     55  HD1 PHE A   1      -5.385  -2.636  -1.776  1.00  0.00           H  
CONECT    1    2    9   33   34                                       
CONECT    2    1    3   35   36                                       
CONECT    3    2    4    7   37                                       
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    4   38                                                 
CONECT    7    3    8   39   40                                       
CONECT    8    9    9    7   17                                       
CONECT    9    1   10    8    8                                       
CONECT   10    9   11   11   16                                       
CONECT   11   10   10   12   41                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12                                                      
CONECT   14   12   12   15   42                                       
CONECT   15   16   16   14   43                                       
CONECT   16   10   17   15   15                                       
CONECT   17    8   16   18                                            
CONECT   18   17   19   44   45                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   46                                            
CONECT   22   26   23   21   47                                       
CONECT   23   22   25   25   24                                       
CONECT   24   23   48                                                 
CONECT   25   23   23                                                 
CONECT   26   27   22   49   50                                       
CONECT   27   32   32   28   26                                       
CONECT   28   29   29   27   51                                       
CONECT   29   30   28   28   52                                       
CONECT   30   31   31   29   53                                       
CONECT   31   30   30   32   54                                       
CONECT   32   31   27   27   55                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
