COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0       4.883   1.436   1.371  1.00  0.00           O  
HETATM    2  C   UNK A   0       4.685   0.969   0.267  1.00  0.00           C  
HETATM    3  O   UNK A   0       5.697   0.876  -0.616  1.00  0.00           O  
HETATM    4  C   UNK A   0       6.997   1.354  -0.181  1.00  0.00           C  
HETATM    5  C   UNK A   0       7.449   0.560   1.046  1.00  0.00           C  
HETATM    6  C   UNK A   0       8.013   1.169  -1.310  1.00  0.00           C  
HETATM    7  C   UNK A   0       6.901   2.838   0.180  1.00  0.00           C  
HETATM    8  N   UNK A   0       3.454   0.538  -0.071  1.00  0.00           N  
HETATM    9  C   UNK A   0       2.354   0.633   0.892  1.00  0.00           C  
HETATM   10  C   UNK A   0       1.094   0.087   0.270  1.00  0.00           C  
HETATM   11  O   UNK A   0       1.113  -0.339  -0.865  1.00  0.00           O  
ATOM     12  N   PHE A   1      -0.054   0.073   0.976  1.00  0.00           N  
ATOM     13  CA  PHE A   1      -1.279  -0.457   0.373  1.00  0.00           C  
ATOM     14  C   PHE A   1      -2.478   0.162   1.043  1.00  0.00           C  
ATOM     15  O   PHE A   1      -2.325   0.966   1.938  1.00  0.00           O  
ATOM     16  CB  PHE A   1      -1.321  -1.976   0.553  1.00  0.00           C  
ATOM     17  CG  PHE A   1      -0.190  -2.605  -0.220  1.00  0.00           C  
ATOM     18  CD1 PHE A   1       1.037  -2.799   0.385  1.00  0.00           C  
ATOM     19  CD2 PHE A   1      -0.383  -2.993  -1.533  1.00  0.00           C  
ATOM     20  CE1 PHE A   1       2.074  -3.376  -0.324  1.00  0.00           C  
ATOM     21  CE2 PHE A   1       0.654  -3.570  -2.242  1.00  0.00           C  
ATOM     22  CZ  PHE A   1       1.883  -3.759  -1.639  1.00  0.00           C  
ATOM     23  N   HIS A   2      -3.721  -0.179   0.649  1.00  0.00           N  
ATOM     24  CA  HIS A   2      -4.887   0.422   1.301  1.00  0.00           C  
ATOM     25  CB  HIS A   2      -6.079   0.393   0.343  1.00  0.00           C  
ATOM     26  CG  HIS A   2      -5.790   1.272  -0.846  1.00  0.00           C  
ATOM     27  ND1 HIS A   2      -5.286   0.868  -2.022  1.00  0.00           N1+
ATOM     28  CD2 HIS A   2      -5.996   2.601  -0.916  1.00  0.00           C  
ATOM     29  CE1 HIS A   2      -5.168   1.896  -2.816  1.00  0.00           C  
ATOM     30  NE2 HIS A   2      -5.606   2.997  -2.167  1.00  0.00           N  
ATOM     31  C   HIS A   2      -5.224  -0.357   2.546  1.00  0.00           C  
ATOM     32  O   HIS A   2      -4.559  -1.316   2.857  1.00  0.00           O  
HETATM   33  H   UNK A   0       7.518  -0.497   0.789  1.00  0.00           H  
HETATM   34  H   UNK A   0       8.425   0.919   1.373  1.00  0.00           H  
HETATM   35  H   UNK A   0       6.725   0.692   1.851  1.00  0.00           H  
HETATM   36  H   UNK A   0       7.692   1.735  -2.184  1.00  0.00           H  
HETATM   37  H   UNK A   0       8.989   1.528  -0.984  1.00  0.00           H  
HETATM   38  H   UNK A   0       8.082   0.112  -1.567  1.00  0.00           H  
HETATM   39  H   UNK A   0       6.177   2.970   0.984  1.00  0.00           H  
HETATM   40  H   UNK A   0       7.877   3.197   0.506  1.00  0.00           H  
HETATM   41  H   UNK A   0       6.579   3.404  -0.694  1.00  0.00           H  
HETATM   42  H   UNK A   0       3.296   0.164  -0.953  1.00  0.00           H  
HETATM   43  H   UNK A   0       2.600   0.054   1.782  1.00  0.00           H  
HETATM   44  H   UNK A   0       2.201   1.676   1.167  1.00  0.00           H  
ATOM     45  H   PHE A   1      -0.069   0.414   1.885  1.00  0.00           H  
ATOM     46  HA  PHE A   1      -1.293  -0.217  -0.691  1.00  0.00           H  
ATOM     47  HB1 PHE A   1      -1.217  -2.219   1.610  1.00  0.00           H  
ATOM     48  HB2 PHE A   1      -2.272  -2.360   0.184  1.00  0.00           H  
ATOM     49  HD1 PHE A   1       1.187  -2.499   1.412  1.00  0.00           H  
ATOM     50  HD2 PHE A   1      -1.344  -2.846  -2.004  1.00  0.00           H  
ATOM     51  HE1 PHE A   1       3.033  -3.526   0.148  1.00  0.00           H  
ATOM     52  HE2 PHE A   1       0.503  -3.874  -3.268  1.00  0.00           H  
ATOM     53  HZ  PHE A   1       2.693  -4.209  -2.193  1.00  0.00           H  
ATOM     54  H   HIS A   2      -3.844  -0.823  -0.066  1.00  0.00           H  
ATOM     55  HA  HIS A   2      -4.661   1.455   1.569  1.00  0.00           H  
ATOM     56  HB1 HIS A   2      -6.249  -0.629   0.006  1.00  0.00           H  
ATOM     57  HB2 HIS A   2      -6.968   0.758   0.857  1.00  0.00           H  
ATOM     58  HD1 HIS A   2      -5.047  -0.045  -2.246  1.00  0.00           H  
ATOM     59  HD2 HIS A   2      -6.395   3.233  -0.136  1.00  0.00           H  
ATOM     60  HE1 HIS A   2      -4.790   1.871  -3.827  1.00  0.00           H  
ATOM     61  HE2 HIS A   2      -5.634   3.900  -2.520  1.00  0.00           H  
ATOM     62  H   HIS A   2      -6.060  -0.058   3.161  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   33   34   35                                       
CONECT    6    4   36   37   38                                       
CONECT    7    4   39   40   41                                       
CONECT    8    9   42    2                                            
CONECT    9    8   10   43   44                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   13   45   10                                            
CONECT   13   12   14   16   46                                       
CONECT   14   13   15   15   23                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   47   48                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   20   49                                       
CONECT   19   17   21   21   50                                       
CONECT   20   18   22   22   51                                       
CONECT   21   19   19   22   52                                       
CONECT   22   20   20   21   53                                       
CONECT   23   24   54   14                                            
CONECT   24   31   25   23   55                                       
CONECT   25   26   24   56   57                                       
CONECT   26   28   28   27   25                                       
CONECT   27   29   29   26   58                                       
CONECT   28   30   26   26   59                                       
CONECT   29   30   27   27   60                                       
CONECT   30   28   29   61                                            
CONECT   31   32   32   24   62                                       
CONECT   32   31   31                                                 
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
