COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0       4.522   0.315  -0.644  1.00  0.00           O  
HETATM    2  C   UNK A   0       3.811  -0.208   0.191  1.00  0.00           C  
HETATM    3  O   UNK A   0       4.196  -0.235   1.481  1.00  0.00           O  
HETATM    4  C   UNK A   0       5.473   0.378   1.801  1.00  0.00           C  
HETATM    5  C   UNK A   0       5.738   0.250   3.302  1.00  0.00           C  
HETATM    6  C   UNK A   0       6.587  -0.327   1.024  1.00  0.00           C  
HETATM    7  C   UNK A   0       5.438   1.858   1.414  1.00  0.00           C  
HETATM    8  O   UNK A   1       0.873   0.715  -2.877  1.00  0.00           O  
HETATM    9  C   UNK A   1       1.532   0.585  -1.868  1.00  0.00           C  
HETATM   10  N   UNK A   3      -3.465  -0.463   2.845  1.00  0.00           N  
HETATM   11  C   UNK A   1       2.216  -0.725  -1.577  1.00  0.00           C  
HETATM   12  C   UNK A   1       1.246  -1.878  -1.844  1.00  0.00           C  
HETATM   13  C   UNK A   1       1.834  -3.181  -1.302  1.00  0.00           C  
HETATM   14  N   UNK A   1       2.635  -0.755  -0.173  1.00  0.00           N  
HETATM   15  N   UNK A   1       0.468  -5.267  -1.028  1.00  0.00           N  
HETATM   16  N   UNK A   1      -0.536  -5.674  -0.333  1.00  0.00           N  
HETATM   17  C   UNK A   1      -0.942  -4.712   0.446  1.00  0.00           C  
HETATM   18  O   UNK A   1      -0.148  -3.652   0.224  1.00  0.00           O  
HETATM   19  C   UNK A   1       0.734  -4.029  -0.717  1.00  0.00           C  
HETATM   20  C   UNK A   1      -2.093  -4.775   1.417  1.00  0.00           C  
HETATM   21  C   UNK A   1      -2.914  -3.488   1.318  1.00  0.00           C  
HETATM   22  C   UNK A   1      -3.073  -2.875   2.711  1.00  0.00           C  
HETATM   23  C   UNK A   1      -4.130  -1.770   2.664  1.00  0.00           C  
HETATM   24  N   UNK A   3      -1.306   3.677  -0.331  1.00  0.00           N  
HETATM   25  C   UNK A   3      -2.207   3.767   0.843  1.00  0.00           C  
HETATM   26  C   UNK A   3      -3.179   2.587   0.803  1.00  0.00           C  
HETATM   27  C   UNK A   3      -3.254   1.941   2.189  1.00  0.00           C  
HETATM   28  C   UNK A   3      -3.920   0.594   2.079  1.00  0.00           C  
HETATM   29  O   UNK A   3      -4.849   0.443   1.314  1.00  0.00           O  
HETATM   30  C   UNK A   3      -1.381   3.710   2.129  1.00  0.00           C  
HETATM   31  O   UNK A   3      -0.271   4.604   2.023  1.00  0.00           O  
ATOM     32  N   PHE A   2       1.662   1.623  -0.998  1.00  0.00           N  
ATOM     33  CA  PHE A   2       0.815   2.806  -1.265  1.00  0.00           C  
ATOM     34  C   PHE A   2      -0.161   2.959  -0.127  1.00  0.00           C  
ATOM     35  O   PHE A   2       0.066   2.454   0.952  1.00  0.00           O  
ATOM     36  CB  PHE A   2       0.052   2.609  -2.577  1.00  0.00           C  
ATOM     37  CG  PHE A   2      -0.916   1.433  -2.431  1.00  0.00           C  
ATOM     38  CD2 PHE A   2      -1.114   0.764  -3.793  1.00  0.00           C  
ATOM     39  CE2 PHE A   2      -2.082  -0.412  -3.647  1.00  0.00           C  
ATOM     40  CZ  PHE A   2      -3.428   0.097  -3.128  1.00  0.00           C  
ATOM     41  CE1 PHE A   2      -3.230   0.766  -1.767  1.00  0.00           C  
ATOM     42  CD1 PHE A   2      -2.262   1.941  -1.912  1.00  0.00           C  
HETATM   43  H   UNK A   0       5.762  -0.804   3.578  1.00  0.00           H  
HETATM   44  H   UNK A   0       6.696   0.711   3.543  1.00  0.00           H  
HETATM   45  H   UNK A   0       4.944   0.752   3.856  1.00  0.00           H  
HETATM   46  H   UNK A   0       6.398  -0.235  -0.045  1.00  0.00           H  
HETATM   47  H   UNK A   0       7.545   0.134   1.265  1.00  0.00           H  
HETATM   48  H   UNK A   0       6.611  -1.381   1.300  1.00  0.00           H  
HETATM   49  H   UNK A   0       4.645   2.360   1.967  1.00  0.00           H  
HETATM   50  H   UNK A   0       6.397   2.319   1.654  1.00  0.00           H  
HETATM   51  H   UNK A   0       5.249   1.949   0.344  1.00  0.00           H  
HETATM   52  H   UNK A   3      -2.736  -0.359   3.476  1.00  0.00           H  
HETATM   53  H   UNK A   1      -4.855  -1.924   3.463  1.00  0.00           H  
HETATM   54  H   UNK A   1      -4.638  -1.790   1.699  1.00  0.00           H  
HETATM   55  H   UNK A   1       3.090  -0.829  -2.219  1.00  0.00           H  
HETATM   56  H   UNK A   1       0.296  -1.676  -1.350  1.00  0.00           H  
HETATM   57  H   UNK A   1       1.083  -1.973  -2.918  1.00  0.00           H  
HETATM   58  H   UNK A   1       2.319  -3.726  -2.113  1.00  0.00           H  
HETATM   59  H   UNK A   1       2.567  -2.955  -0.528  1.00  0.00           H  
HETATM   60  H   UNK A   1       2.065  -1.169   0.494  1.00  0.00           H  
HETATM   61  H   UNK A   1      -2.726  -5.629   1.176  1.00  0.00           H  
HETATM   62  H   UNK A   1      -1.707  -4.883   2.431  1.00  0.00           H  
HETATM   63  H   UNK A   1      -2.402  -2.780   0.666  1.00  0.00           H  
HETATM   64  H   UNK A   1      -3.897  -3.716   0.907  1.00  0.00           H  
HETATM   65  H   UNK A   1      -3.386  -3.647   3.414  1.00  0.00           H  
HETATM   66  H   UNK A   1      -2.121  -2.454   3.033  1.00  0.00           H  
HETATM   67  H   UNK A   3      -1.515   4.095  -1.181  1.00  0.00           H  
HETATM   68  H   UNK A   3      -2.765   4.703   0.804  1.00  0.00           H  
HETATM   69  H   UNK A   3      -4.168   2.941   0.513  1.00  0.00           H  
HETATM   70  H   UNK A   3      -2.829   1.852   0.078  1.00  0.00           H  
HETATM   71  H   UNK A   3      -2.247   1.817   2.587  1.00  0.00           H  
HETATM   72  H   UNK A   3      -3.833   2.579   2.856  1.00  0.00           H  
HETATM   73  H   UNK A   3      -2.004   4.003   2.974  1.00  0.00           H  
HETATM   74  H   UNK A   3      -1.016   2.694   2.282  1.00  0.00           H  
HETATM   75  H   UNK A   3       0.297   4.620   2.805  1.00  0.00           H  
ATOM     76  H   PHE A   2       2.274   1.589  -0.247  1.00  0.00           H  
ATOM     77  HA  PHE A   2       1.440   3.697  -1.335  1.00  0.00           H  
ATOM     78  HB1 PHE A   2      -0.509   3.514  -2.811  1.00  0.00           H  
ATOM     79  HB2 PHE A   2       0.758   2.401  -3.380  1.00  0.00           H  
ATOM     80  HG  PHE A   2      -0.505   0.709  -1.727  1.00  0.00           H  
ATOM     81 HD21 PHE A   2      -1.525   1.488  -4.497  1.00  0.00           H  
ATOM     82 HD22 PHE A   2      -0.155   0.401  -4.163  1.00  0.00           H  
ATOM     83 HE21 PHE A   2      -2.223  -0.889  -4.617  1.00  0.00           H  
ATOM     84 HE22 PHE A   2      -1.671  -1.136  -2.943  1.00  0.00           H  
ATOM     85  HZ1 PHE A   2      -3.839   0.820  -3.832  1.00  0.00           H  
ATOM     86  HZ2 PHE A   2      -4.118  -0.741  -3.025  1.00  0.00           H  
ATOM     87 HE11 PHE A   2      -4.189   1.128  -1.397  1.00  0.00           H  
ATOM     88 HE12 PHE A   2      -2.819   0.042  -1.063  1.00  0.00           H  
ATOM     89 HD11 PHE A   2      -2.121   2.418  -0.942  1.00  0.00           H  
ATOM     90 HD12 PHE A   2      -2.673   2.665  -2.616  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   14    3    1    1                                       
CONECT    3    2    4                                                 
CONECT    4    3    7    6    5                                       
CONECT    5    4   43   44   45                                       
CONECT    6    4   46   47   48                                       
CONECT    7    4   49   50   51                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   32   11                                       
CONECT   10   23   28   52                                            
CONECT   11    9   12   14   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   12   58   59   19                                       
CONECT   14   11    2   60                                            
CONECT   15   19   19   16                                            
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   20                                       
CONECT   18   17   19                                                 
CONECT   19   13   15   15   18                                       
CONECT   20   17   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   10   53   54   22                                       
CONECT   24   25   34   67                                            
CONECT   25   30   26   24   68                                       
CONECT   26   25   27   69   70                                       
CONECT   27   26   28   71   72                                       
CONECT   28   29   29   10   27                                       
CONECT   29   28   28                                                 
CONECT   30   31   25   73   74                                       
CONECT   31   30   75                                                 
CONECT   32   33    9   76                                            
CONECT   33   34   36   32   77                                       
CONECT   34   24   35   35   33                                       
CONECT   35   34   34                                                 
CONECT   36   33   37   78   79                                       
CONECT   37   36   42   38   80                                       
CONECT   38   37   39   82   81                                       
CONECT   39   38   40   84   83                                       
CONECT   40   41   39   86   85                                       
CONECT   41   42   40   88   87                                       
CONECT   42   37   41   89   90                                       
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
