COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -3.228   6.739   1.606  1.00  0.00           C  
HETATM    2  N   UNK A   1       1.432   4.251  -1.166  1.00  0.00           N  
HETATM    3  O   UNK A   1      -1.444   4.719   1.493  1.00  0.00           O  
HETATM    4  O   UNK A   1      -0.163  -2.840   1.817  1.00  0.00           O  
HETATM    5  C   UNK A   1       0.493   1.060   1.506  1.00  0.00           C  
HETATM    6  C   UNK A   1       1.041   2.099   0.525  1.00  0.00           C  
HETATM    7  C   UNK A   1       1.505  -0.076   1.665  1.00  0.00           C  
HETATM    8  N   UNK A   1      -2.178   6.612   0.593  1.00  0.00           N  
HETATM    9  N   UNK A   1       0.132   3.246   0.469  1.00  0.00           N  
HETATM   10  N   UNK A   1      -0.367   5.446  -0.308  1.00  0.00           N  
HETATM   11  N   UNK A   1       2.031  -2.045   3.056  1.00  0.00           N  
HETATM   12  C   UNK A   1       0.419   4.311  -0.350  1.00  0.00           C  
HETATM   13  C   UNK A   1      -1.334   5.562   0.624  1.00  0.00           C  
HETATM   14  C   UNK A   1      -0.232  -1.715   2.273  1.00  0.00           C  
HETATM   15  C   UNK A   1       1.028  -1.036   2.756  1.00  0.00           C  
HETATM   16  C   UNK A   0      -1.727   0.041   3.212  1.00  0.00           C  
ATOM     17  N   PHE A   2      -1.424  -1.063   2.301  1.00  0.00           N  
ATOM     18  CA  PHE A   2      -2.427  -1.533   1.314  1.00  0.00           C  
ATOM     19  C   PHE A   2      -2.123  -0.886  -0.014  1.00  0.00           C  
ATOM     20  O   PHE A   2      -2.422   0.273  -0.215  1.00  0.00           O  
ATOM     21  CB  PHE A   2      -3.826  -1.124   1.777  1.00  0.00           C  
ATOM     22  CG  PHE A   2      -4.855  -1.714   0.848  1.00  0.00           C  
ATOM     23  CD1 PHE A   2      -5.452  -2.922   1.154  1.00  0.00           C  
ATOM     24  CE1 PHE A   2      -6.396  -3.463   0.301  1.00  0.00           C  
ATOM     25  CZ  PHE A   2      -6.743  -2.795  -0.858  1.00  0.00           C  
ATOM     26  CE2 PHE A   2      -6.146  -1.586  -1.164  1.00  0.00           C  
ATOM     27  CD2 PHE A   2      -5.206  -1.043  -0.309  1.00  0.00           C  
HETATM   28  N   UNK A   3      -1.504  -1.632  -0.980  1.00  0.00           N  
HETATM   29  C   UNK A   3      -1.262  -0.927  -2.262  1.00  0.00           C  
HETATM   30  C   UNK A   3      -2.451  -1.111  -3.171  1.00  0.00           C  
HETATM   31  O   UNK A   3      -3.224  -2.020  -2.979  1.00  0.00           O  
HETATM   32  C   UNK A   3      -0.022  -1.530  -2.924  1.00  0.00           C  
HETATM   33  C   UNK A   3       1.216  -0.810  -2.453  1.00  0.00           C  
HETATM   34  O   UNK A   3       1.132   0.223  -1.826  1.00  0.00           O  
HETATM   35  O   UNK A   3      -2.651  -0.266  -4.195  1.00  0.00           O  
HETATM   36  N   UNK A   3       2.434  -1.357  -2.758  1.00  0.00           N  
HETATM   37  C   UNK A   3       3.612  -0.604  -2.266  1.00  0.00           C  
HETATM   38  C   UNK A   3       4.470  -0.190  -3.436  1.00  0.00           C  
HETATM   39  O   UNK A   1       4.365  -0.765  -4.494  1.00  0.00           O  
HETATM   40  C   UNK A   3       4.421  -1.517  -1.342  1.00  0.00           C  
HETATM   41  C   UNK A   3       4.450  -0.933   0.048  1.00  0.00           C  
HETATM   42  O   UNK A   3       4.621   0.255   0.215  1.00  0.00           O  
HETATM   43  O   UNK A   1       5.348   0.816  -3.303  1.00  0.00           O  
HETATM   44  N   UNK A   3       4.282  -1.780   1.110  1.00  0.00           N  
HETATM   45  C   UNK A   3       4.299  -1.140   2.448  1.00  0.00           C  
HETATM   46  C   UNK A   3       5.706  -1.269   3.048  1.00  0.00           C  
HETATM   47  C   UNK A   3       3.317  -1.855   3.329  1.00  0.00           C  
HETATM   48  O   UNK A   1       3.743  -2.302   4.394  1.00  0.00           O  
HETATM   49  H   UNK A   1      -3.886   5.871   1.557  1.00  0.00           H  
HETATM   50  H   UNK A   1      -2.774   6.795   2.595  1.00  0.00           H  
HETATM   51  H   UNK A   1      -3.806   7.643   1.419  1.00  0.00           H  
HETATM   52  H   UNK A   1       1.592   4.972  -1.795  1.00  0.00           H  
HETATM   53  H   UNK A   1       0.320   1.530   2.474  1.00  0.00           H  
HETATM   54  H   UNK A   1      -0.446   0.659   1.123  1.00  0.00           H  
HETATM   55  H   UNK A   1       2.024   2.431   0.860  1.00  0.00           H  
HETATM   56  H   UNK A   1       1.126   1.653  -0.466  1.00  0.00           H  
HETATM   57  H   UNK A   1       1.597  -0.615   0.722  1.00  0.00           H  
HETATM   58  H   UNK A   1       2.475   0.337   1.943  1.00  0.00           H  
HETATM   59  H   UNK A   1      -2.089   7.285  -0.101  1.00  0.00           H  
HETATM   60  H   UNK A   1      -0.674   3.253   1.010  1.00  0.00           H  
HETATM   61  H   UNK A   1      -0.224   6.159  -0.949  1.00  0.00           H  
HETATM   62  H   UNK A   1       1.719  -2.989   3.062  1.00  0.00           H  
HETATM   63  H   UNK A   1       0.814  -0.467   3.664  1.00  0.00           H  
HETATM   64  H   UNK A   0      -0.833   0.299   3.780  1.00  0.00           H  
HETATM   65  H   UNK A   0      -2.056   0.906   2.638  1.00  0.00           H  
HETATM   66  H   UNK A   0      -2.518  -0.262   3.899  1.00  0.00           H  
ATOM     67  HA  PHE A   2      -2.369  -2.615   1.220  1.00  0.00           H  
ATOM     68  HB1 PHE A   2      -3.996  -1.493   2.789  1.00  0.00           H  
ATOM     69  HB2 PHE A   2      -3.908  -0.038   1.769  1.00  0.00           H  
ATOM     70  HD1 PHE A   2      -5.181  -3.444   2.060  1.00  0.00           H  
ATOM     71  HE1 PHE A   2      -6.862  -4.407   0.541  1.00  0.00           H  
ATOM     72  HZ  PHE A   2      -7.480  -3.217  -1.525  1.00  0.00           H  
ATOM     73  HE2 PHE A   2      -6.417  -1.064  -2.070  1.00  0.00           H  
ATOM     74  HD2 PHE A   2      -4.742  -0.097  -0.547  1.00  0.00           H  
HETATM   75  H   UNK A   3      -1.243  -2.557  -0.837  1.00  0.00           H  
HETATM   76  H   UNK A   3      -1.105   0.134  -2.079  1.00  0.00           H  
HETATM   77  H   UNK A   3       0.053  -2.586  -2.664  1.00  0.00           H  
HETATM   78  H   UNK A   3      -0.106  -1.431  -4.008  1.00  0.00           H  
HETATM   79  H   UNK A   3      -3.427  -0.424  -4.750  1.00  0.00           H  
HETATM   80  H   UNK A   3       2.519  -2.182  -3.264  1.00  0.00           H  
HETATM   81  H   UNK A   3       3.291   0.282  -1.721  1.00  0.00           H  
HETATM   82  H   UNK A   3       3.957  -2.503  -1.311  1.00  0.00           H  
HETATM   83  H   UNK A   3       5.440  -1.606  -1.718  1.00  0.00           H  
HETATM   84  H   UNK A   1       5.875   1.045  -4.081  1.00  0.00           H  
HETATM   85  H   UNK A   3       4.161  -2.738   0.997  1.00  0.00           H  
HETATM   86  H   UNK A   3       4.049  -0.085   2.368  1.00  0.00           H  
HETATM   87  H   UNK A   3       6.425  -0.775   2.395  1.00  0.00           H  
HETATM   88  H   UNK A   3       5.726  -0.801   4.032  1.00  0.00           H  
HETATM   89  H   UNK A   3       5.965  -2.324   3.141  1.00  0.00           H  
CONECT    1    8   49   50   51                                       
CONECT    2   12   12   52                                            
CONECT    3   13   13                                                 
CONECT    4   14   14                                                 
CONECT    5    6    7   53   54                                       
CONECT    6    5    9   55   56                                       
CONECT    7    5   15   57   58                                       
CONECT    8    1   13   59                                            
CONECT    9    6   12   60                                            
CONECT   10   12   13   61                                            
CONECT   11   15   62   47                                            
CONECT   12    2    2    9   10                                       
CONECT   13    3    3    8   10                                       
CONECT   14    4    4   15   17                                       
CONECT   15    7   11   14   63                                       
CONECT   16   17   64   65   66                                       
CONECT   17   16   18   14                                            
CONECT   18   17   19   21   67                                       
CONECT   19   18   20   20   28                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   68   69                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   70                                       
CONECT   24   23   25   25   71                                       
CONECT   25   24   24   26   72                                       
CONECT   26   25   27   27   73                                       
CONECT   27   22   26   26   74                                       
CONECT   28   29   75   19                                            
CONECT   29   28   30   32   76                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   77   78                                       
CONECT   33   32   34   34   36                                       
CONECT   34   33   33                                                 
CONECT   35   30   79                                                 
CONECT   36   37   80   33                                            
CONECT   37   36   38   40   81                                       
CONECT   38   37   39   39   43                                       
CONECT   39   38   38                                                 
CONECT   40   37   41   82   83                                       
CONECT   41   40   42   42   44                                       
CONECT   42   41   41                                                 
CONECT   43   38   84                                                 
CONECT   44   45   85   41                                            
CONECT   45   44   46   47   86                                       
CONECT   46   45   87   88   89                                       
CONECT   47   45   48   48   11                                       
CONECT   48   47   47                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
