COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  C   PHE A   2      -8.393   0.986  -1.192  1.00  0.00           C  
ATOM      2  CB  PHE A   2      -8.282  -1.099   0.146  1.00  0.00           C  
ATOM      3  CD1 PHE A   2      -6.534  -2.426   1.349  1.00  0.00           C  
ATOM      4  CE1 PHE A   2      -5.825  -3.595   1.555  1.00  0.00           C  
ATOM      5  N   PHE A   1      -2.900   0.842  -1.660  1.00  0.00           N  
ATOM      6  CG  PHE A   1      -4.924   2.390   1.142  1.00  0.00           C  
ATOM      7  CB  PHE A   1      -3.987   2.346  -0.066  1.00  0.00           C  
ATOM      8  CD2 PHE A   2      -7.762  -3.482  -0.415  1.00  0.00           C  
ATOM      9  OXT PHE A   2      -9.624   0.838  -1.706  1.00  0.00           O  
ATOM     10  O   PHE A   2      -7.958   2.092  -0.975  1.00  0.00           O  
ATOM     11  CA  PHE A   2      -7.556  -0.228  -0.881  1.00  0.00           C  
ATOM     12  CG  PHE A   2      -7.504  -2.371   0.366  1.00  0.00           C  
ATOM     13  CE2 PHE A   2      -7.056  -4.652  -0.206  1.00  0.00           C  
ATOM     14  CZ  PHE A   2      -6.086  -4.708   0.777  1.00  0.00           C  
ATOM     15  N   PHE A   2      -6.264   0.197  -0.334  1.00  0.00           N  
ATOM     16  C   PHE A   1      -5.254   0.521  -1.166  1.00  0.00           C  
ATOM     17  O   PHE A   1      -5.425   0.494  -2.366  1.00  0.00           O  
ATOM     18  CA  PHE A   1      -3.913   0.916  -0.604  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.598   0.718  -1.337  1.00  0.00           C  
HETATM   20  O   UNK A   0      -1.270   0.576  -0.175  1.00  0.00           O  
ATOM     21  CD2 PHE A   1      -5.176   3.846   1.540  1.00  0.00           C  
ATOM     22  CE2 PHE A   1      -6.113   3.889   2.748  1.00  0.00           C  
ATOM     23  CZ  PHE A   1      -5.470   3.144   3.920  1.00  0.00           C  
ATOM     24  CE1 PHE A   1      -5.219   1.688   3.522  1.00  0.00           C  
ATOM     25  CD1 PHE A   1      -4.281   1.645   2.313  1.00  0.00           C  
ATOM     26  HB1 PHE A   2      -8.366  -0.557   1.088  1.00  0.00           H  
ATOM     27  HB2 PHE A   2      -9.279  -1.341  -0.223  1.00  0.00           H  
ATOM     28  HD1 PHE A   2      -6.333  -1.558   1.959  1.00  0.00           H  
ATOM     29  HE1 PHE A   2      -5.067  -3.639   2.322  1.00  0.00           H  
ATOM     30  H   PHE A   1      -3.167   0.883  -2.591  1.00  0.00           H  
ATOM     31  HG  PHE A   1      -5.871   1.915   0.885  1.00  0.00           H  
ATOM     32  HB1 PHE A   1      -4.366   3.008  -0.845  1.00  0.00           H  
ATOM     33  HB2 PHE A   1      -2.991   2.673   0.234  1.00  0.00           H  
ATOM     34  HD2 PHE A   2      -8.520  -3.438  -1.183  1.00  0.00           H  
ATOM     35  HXT PHE A   2     -10.125   1.646  -1.885  1.00  0.00           H  
ATOM     36  HA  PHE A   2      -7.393  -0.801  -1.793  1.00  0.00           H  
ATOM     37  HE2 PHE A   2      -7.258  -5.520  -0.816  1.00  0.00           H  
ATOM     38  HZ  PHE A   2      -5.532  -5.621   0.937  1.00  0.00           H  
ATOM     39  H   PHE A   2      -6.136   0.245   0.626  1.00  0.00           H  
ATOM     40  HA  PHE A   1      -3.644   0.237   0.206  1.00  0.00           H  
ATOM     41 HD21 PHE A   1      -4.229   4.321   1.798  1.00  0.00           H  
ATOM     42 HD22 PHE A   1      -5.634   4.377   0.706  1.00  0.00           H  
ATOM     43 HE21 PHE A   1      -6.293   4.926   3.032  1.00  0.00           H  
ATOM     44 HE22 PHE A   1      -7.060   3.414   2.491  1.00  0.00           H  
ATOM     45  HZ1 PHE A   1      -4.524   3.619   4.177  1.00  0.00           H  
ATOM     46  HZ2 PHE A   1      -6.138   3.175   4.781  1.00  0.00           H  
ATOM     47 HE11 PHE A   1      -4.761   1.157   4.356  1.00  0.00           H  
ATOM     48 HE12 PHE A   1      -6.165   1.213   3.264  1.00  0.00           H  
ATOM     49 HD11 PHE A   1      -4.102   0.608   2.030  1.00  0.00           H  
ATOM     50 HD12 PHE A   1      -3.335   2.120   2.571  1.00  0.00           H  
HETATM   51  O   UNK A   0      -0.659   0.752  -2.301  1.00  0.00           O  
HETATM   52  C   UNK A   0       0.625   0.510  -1.922  1.00  0.00           C  
HETATM   53  C   UNK A   0       1.033  -0.786  -1.643  1.00  0.00           C  
HETATM   54  C   UNK A   0       2.336  -1.032  -1.258  1.00  0.00           C  
HETATM   55  C   UNK A   0       3.239   0.019  -1.150  1.00  0.00           C  
HETATM   56  C   UNK A   0       2.829   1.316  -1.430  1.00  0.00           C  
HETATM   57  C   UNK A   0       1.527   1.559  -1.821  1.00  0.00           C  
HETATM   58  N   UNK A   0       4.561  -0.229  -0.759  1.00  0.00           N  
HETATM   59  C   UNK A   0       5.379   0.799  -0.459  1.00  0.00           C  
HETATM   60 CL   UNK A   0       2.847  -2.654  -0.908  1.00  0.00          Cl  
HETATM   61  O   UNK A   0       4.944   1.931  -0.427  1.00  0.00           O  
HETATM   62  C   UNK A   0       6.834   0.542  -0.162  1.00  0.00           C  
HETATM   63  C   UNK A   0       7.629   1.836  -0.352  1.00  0.00           C  
HETATM   64  C   UNK A   0       6.983   0.060   1.282  1.00  0.00           C  
HETATM   65  C   UNK A   0       6.372  -1.311   1.419  1.00  0.00           C  
HETATM   66  C   UNK A   0       9.099   1.552  -0.176  1.00  0.00           C  
HETATM   67  C   UNK A   0       9.869   1.192  -1.266  1.00  0.00           C  
HETATM   68  C   UNK A   0      11.217   0.932  -1.104  1.00  0.00           C  
HETATM   69  C   UNK A   0      11.795   1.033   0.147  1.00  0.00           C  
HETATM   70  C   UNK A   0      11.026   1.395   1.237  1.00  0.00           C  
HETATM   71  C   UNK A   0       9.678   1.659   1.075  1.00  0.00           C  
HETATM   72  C   UNK A   0       7.102  -2.431   1.067  1.00  0.00           C  
HETATM   73  C   UNK A   0       6.541  -3.689   1.192  1.00  0.00           C  
HETATM   74  C   UNK A   0       5.252  -3.826   1.670  1.00  0.00           C  
HETATM   75  C   UNK A   0       4.522  -2.706   2.023  1.00  0.00           C  
HETATM   76  C   UNK A   0       5.084  -1.449   1.901  1.00  0.00           C  
HETATM   77  H   UNK A   0       0.331  -1.603  -1.727  1.00  0.00           H  
HETATM   78  H   UNK A   0       3.530   2.133  -1.347  1.00  0.00           H  
HETATM   79  H   UNK A   0       1.208   2.568  -2.038  1.00  0.00           H  
HETATM   80  H   UNK A   0       4.888  -1.141  -0.704  1.00  0.00           H  
HETATM   81  H   UNK A   0       7.214  -0.221  -0.841  1.00  0.00           H  
HETATM   82  H   UNK A   0       7.452   2.227  -1.354  1.00  0.00           H  
HETATM   83  H   UNK A   0       7.310   2.570   0.387  1.00  0.00           H  
HETATM   84  H   UNK A   0       8.041   0.014   1.543  1.00  0.00           H  
HETATM   85  H   UNK A   0       6.474   0.753   1.951  1.00  0.00           H  
HETATM   86  H   UNK A   0       9.417   1.113  -2.244  1.00  0.00           H  
HETATM   87  H   UNK A   0      11.818   0.649  -1.956  1.00  0.00           H  
HETATM   88  H   UNK A   0      12.848   0.829   0.273  1.00  0.00           H  
HETATM   89  H   UNK A   0      11.477   1.473   2.215  1.00  0.00           H  
HETATM   90  H   UNK A   0       9.077   1.941   1.926  1.00  0.00           H  
HETATM   91  H   UNK A   0       8.110  -2.324   0.694  1.00  0.00           H  
HETATM   92  H   UNK A   0       7.111  -4.564   0.917  1.00  0.00           H  
HETATM   93  H   UNK A   0       4.813  -4.808   1.767  1.00  0.00           H  
HETATM   94  H   UNK A   0       3.514  -2.813   2.395  1.00  0.00           H  
HETATM   95  H   UNK A   0       4.514  -0.574   2.177  1.00  0.00           H  
CONECT    1   11   10   10    9                                       
CONECT    2   12   11   26   27                                       
CONECT    3    4   12   12   28                                       
CONECT    4   14   14    3   29                                       
CONECT    5   18   19   30                                            
CONECT    6    7   25   21   31                                       
CONECT    7   18    6   32   33                                       
CONECT    8   13   13   12   34                                       
CONECT    9    1   35                                                 
CONECT   10    1    1                                                 
CONECT   11    2    1   15   36                                       
CONECT   12    3    3    8    2                                       
CONECT   13   14    8    8   37                                       
CONECT   14    4    4   13   38                                       
CONECT   15   11   16   39                                            
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16    7    5   40                                       
CONECT   19   20   20    5   51                                       
CONECT   20   19   19                                                 
CONECT   21    6   22   41   42                                       
CONECT   22   23   21   43   44                                       
CONECT   23   24   22   45   46                                       
CONECT   24   25   23   47   48                                       
CONECT   25    6   24   49   50                                       
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   19   52                                                 
CONECT   52   51   53   57   57                                       
CONECT   53   52   54   54   77                                       
CONECT   54   53   53   55   60                                       
CONECT   55   54   56   56   58                                       
CONECT   56   55   55   57   78                                       
CONECT   57   56   52   52   79                                       
CONECT   58   55   59   80                                            
CONECT   59   58   61   61   62                                       
CONECT   60   54                                                      
CONECT   61   59   59                                                 
CONECT   62   59   63   64   81                                       
CONECT   63   62   66   82   83                                       
CONECT   64   62   65   84   85                                       
CONECT   65   64   72   76   76                                       
CONECT   66   63   67   71   71                                       
CONECT   67   66   68   68   86                                       
CONECT   68   67   67   69   87                                       
CONECT   69   68   70   70   88                                       
CONECT   70   69   69   71   89                                       
CONECT   71   70   66   66   90                                       
CONECT   72   65   73   73   91                                       
CONECT   73   72   72   74   92                                       
CONECT   74   73   75   75   93                                       
CONECT   75   74   74   76   94                                       
CONECT   76   75   65   65   95                                       
CONECT   77   53                                                      
CONECT   78   56                                                      
CONECT   79   57                                                      
CONECT   80   58                                                      
CONECT   81   62                                                      
CONECT   82   63                                                      
CONECT   83   63                                                      
CONECT   84   64                                                      
CONECT   85   64                                                      
CONECT   86   67                                                      
CONECT   87   68                                                      
CONECT   88   69                                                      
CONECT   89   70                                                      
CONECT   90   71                                                      
CONECT   91   72                                                      
CONECT   92   73                                                      
CONECT   93   74                                                      
CONECT   94   75                                                      
CONECT   95   76                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
