COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      10.114   2.331  -0.166  1.00  0.00           C  
HETATM    2  C   UNK A   0       8.983   1.668  -0.974  1.00  0.00           C  
HETATM    3  C   UNK A   0      10.026   3.836  -0.508  1.00  0.00           C  
HETATM    4  C   UNK A   0       8.026   0.972  -0.041  1.00  0.00           C  
HETATM    5  N   UNK A   0       8.280   2.747  -1.703  1.00  0.00           N  
HETATM    6  O   UNK A   0       8.406   0.596   1.048  1.00  0.00           O  
HETATM    7  C   UNK A   0       9.571   0.665  -1.967  1.00  0.00           C  
HETATM    8  C   UNK A   0       9.273   3.840  -1.862  1.00  0.00           C  
HETATM    9  N   UNK A   0       6.748   0.766  -0.416  1.00  0.00           N  
HETATM   10  C   UNK A   0       5.818   0.089   0.491  1.00  0.00           C  
HETATM   11  C   UNK A   0       4.715  -0.555  -0.309  1.00  0.00           C  
HETATM   12  O   UNK A   0       4.707  -0.459  -1.518  1.00  0.00           O  
HETATM   13  C   UNK A   0       5.215   1.110   1.459  1.00  0.00           C  
HETATM   14  C   UNK A   0       6.334   1.765   2.271  1.00  0.00           C  
HETATM   15  C   UNK A   0       4.465   2.183   0.667  1.00  0.00           C  
HETATM   16  N   UNK A   0       3.738  -1.239   0.319  1.00  0.00           N  
HETATM   17  C   UNK A   0       1.310  -1.432   0.099  1.00  0.00           C  
HETATM   18  C   UNK A   0       2.793  -3.388  -0.367  1.00  0.00           C  
HETATM   19  C   UNK A   0       2.667  -1.866  -0.459  1.00  0.00           C  
HETATM   20  C   UNK A   0       0.191  -2.098  -0.704  1.00  0.00           C  
HETATM   21  C   UNK A   0      -1.129  -1.467  -0.346  1.00  0.00           C  
HETATM   22  O   UNK A   0       1.211  -1.824   1.470  1.00  0.00           O  
HETATM   23  O   UNK A   0      -1.157  -0.471   0.346  1.00  0.00           O  
HETATM   24  C   UNK A   0       4.262  -3.788  -0.516  1.00  0.00           C  
HETATM   25  C   UNK A   0       5.013  -3.462   0.777  1.00  0.00           C  
HETATM   26  C   UNK A   0       1.972  -4.037  -1.483  1.00  0.00           C  
HETATM   27  C   UNK A   0       3.748  -1.356   1.779  1.00  0.00           C  
HETATM   28  C   UNK A   0       0.410  -0.950   2.268  1.00  0.00           C  
HETATM   29  C   UNK A   0      -3.750  -3.060  -2.366  1.00  0.00           C  
HETATM   30  C   UNK A   0      -5.612  -1.084   2.753  1.00  0.00           C  
HETATM   31  C   UNK A   0      -5.303  -0.971   1.258  1.00  0.00           C  
HETATM   32  C   UNK A   0      -3.098  -3.034   2.666  1.00  0.00           C  
HETATM   33  C   UNK A   0      -5.355   0.476   0.842  1.00  0.00           C  
HETATM   34  N   UNK A   0      -2.279  -2.008  -0.794  1.00  0.00           N  
HETATM   35  C   UNK A   0      -3.630  -1.497  -0.521  1.00  0.00           C  
HETATM   36  C   UNK A   0      -4.626  -2.417  -1.258  1.00  0.00           C  
HETATM   37  C   UNK A   0      -2.390  -3.211  -1.639  1.00  0.00           C  
HETATM   38  C   UNK A   0      -3.906  -1.531   0.983  1.00  0.00           C  
HETATM   39  O   UNK A   0      -3.833  -2.879   1.450  1.00  0.00           O  
HETATM   40  O   UNK A   0      -4.356   1.025   0.429  1.00  0.00           O  
ATOM     41  N   PHE A   1      -6.513   1.161   0.929  1.00  0.00           N  
ATOM     42  CA  PHE A   1      -6.564   2.568   0.525  1.00  0.00           C  
ATOM     43  C   PHE A   1      -6.130   3.438   1.677  1.00  0.00           C  
ATOM     44  O   PHE A   1      -5.811   2.934   2.728  1.00  0.00           O  
ATOM     45  CB  PHE A   1      -7.994   2.932   0.122  1.00  0.00           C  
ATOM     46  CG  PHE A   1      -8.384   2.150  -1.106  1.00  0.00           C  
ATOM     47  CD1 PHE A   1      -8.138   2.669  -2.363  1.00  0.00           C  
ATOM     48  CD2 PHE A   1      -8.982   0.910  -0.975  1.00  0.00           C  
ATOM     49  CE1 PHE A   1      -8.496   1.952  -3.489  1.00  0.00           C  
ATOM     50  CE2 PHE A   1      -9.340   0.193  -2.101  1.00  0.00           C  
ATOM     51  CZ  PHE A   1      -9.099   0.715  -3.358  1.00  0.00           C  
ATOM     52  OXT PHE A   1      -6.098   4.772   1.535  1.00  0.00           O  
HETATM   53  H   UNK A   0       9.958   2.176   0.901  1.00  0.00           H  
HETATM   54  H   UNK A   0      11.080   1.929  -0.469  1.00  0.00           H  
HETATM   55  H   UNK A   0       9.456   4.372   0.251  1.00  0.00           H  
HETATM   56  H   UNK A   0      11.021   4.266  -0.619  1.00  0.00           H  
HETATM   57  H   UNK A   0       7.952   2.422  -2.600  1.00  0.00           H  
HETATM   58  H   UNK A   0      10.123  -0.103  -1.425  1.00  0.00           H  
HETATM   59  H   UNK A   0       8.764   0.200  -2.535  1.00  0.00           H  
HETATM   60  H   UNK A   0      10.244   1.182  -2.651  1.00  0.00           H  
HETATM   61  H   UNK A   0       8.771   4.795  -2.021  1.00  0.00           H  
HETATM   62  H   UNK A   0       9.956   3.623  -2.683  1.00  0.00           H  
HETATM   63  H   UNK A   0       6.444   1.067  -1.287  1.00  0.00           H  
HETATM   64  H   UNK A   0       6.352  -0.675   1.055  1.00  0.00           H  
HETATM   65  H   UNK A   0       4.523   0.606   2.134  1.00  0.00           H  
HETATM   66  H   UNK A   0       7.026   2.268   1.596  1.00  0.00           H  
HETATM   67  H   UNK A   0       5.905   2.492   2.961  1.00  0.00           H  
HETATM   68  H   UNK A   0       6.869   1.000   2.836  1.00  0.00           H  
HETATM   69  H   UNK A   0       5.157   2.687  -0.008  1.00  0.00           H  
HETATM   70  H   UNK A   0       3.668   1.717   0.088  1.00  0.00           H  
HETATM   71  H   UNK A   0       4.036   2.910   1.356  1.00  0.00           H  
HETATM   72  H   UNK A   0       1.216  -0.349   0.023  1.00  0.00           H  
HETATM   73  H   UNK A   0       2.421  -3.725   0.601  1.00  0.00           H  
HETATM   74  H   UNK A   0       2.746  -1.558  -1.502  1.00  0.00           H  
HETATM   75  H   UNK A   0       0.380  -1.966  -1.769  1.00  0.00           H  
HETATM   76  H   UNK A   0       0.160  -3.162  -0.470  1.00  0.00           H  
HETATM   77  H   UNK A   0       4.329  -4.858  -0.714  1.00  0.00           H  
HETATM   78  H   UNK A   0       4.707  -3.237  -1.344  1.00  0.00           H  
HETATM   79  H   UNK A   0       5.878  -4.119   0.871  1.00  0.00           H  
HETATM   80  H   UNK A   0       5.347  -2.424   0.751  1.00  0.00           H  
HETATM   81  H   UNK A   0       4.350  -3.609   1.630  1.00  0.00           H  
HETATM   82  H   UNK A   0       2.525  -3.980  -2.421  1.00  0.00           H  
HETATM   83  H   UNK A   0       1.783  -5.081  -1.235  1.00  0.00           H  
HETATM   84  H   UNK A   0       1.023  -3.511  -1.589  1.00  0.00           H  
HETATM   85  H   UNK A   0       3.194  -0.524   2.214  1.00  0.00           H  
HETATM   86  H   UNK A   0       3.280  -2.296   2.072  1.00  0.00           H  
HETATM   87  H   UNK A   0       4.777  -1.335   2.139  1.00  0.00           H  
HETATM   88  H   UNK A   0       0.718   0.082   2.098  1.00  0.00           H  
HETATM   89  H   UNK A   0      -0.638  -1.066   1.993  1.00  0.00           H  
HETATM   90  H   UNK A   0       0.539  -1.199   3.321  1.00  0.00           H  
HETATM   91  H   UNK A   0      -4.145  -4.032  -2.661  1.00  0.00           H  
HETATM   92  H   UNK A   0      -3.661  -2.399  -3.228  1.00  0.00           H  
HETATM   93  H   UNK A   0      -6.619  -0.712   2.944  1.00  0.00           H  
HETATM   94  H   UNK A   0      -5.546  -2.128   3.060  1.00  0.00           H  
HETATM   95  H   UNK A   0      -4.892  -0.492   3.318  1.00  0.00           H  
HETATM   96  H   UNK A   0      -6.040  -1.539   0.691  1.00  0.00           H  
HETATM   97  H   UNK A   0      -3.505  -2.365   3.424  1.00  0.00           H  
HETATM   98  H   UNK A   0      -3.178  -4.065   3.010  1.00  0.00           H  
HETATM   99  H   UNK A   0      -2.050  -2.790   2.491  1.00  0.00           H  
HETATM  100  H   UNK A   0      -3.722  -0.476  -0.892  1.00  0.00           H  
HETATM  101  H   UNK A   0      -5.437  -1.836  -1.697  1.00  0.00           H  
HETATM  102  H   UNK A   0      -5.017  -3.180  -0.585  1.00  0.00           H  
HETATM  103  H   UNK A   0      -2.387  -4.109  -1.023  1.00  0.00           H  
HETATM  104  H   UNK A   0      -1.575  -3.243  -2.362  1.00  0.00           H  
HETATM  105  H   UNK A   0      -3.163  -0.925   1.503  1.00  0.00           H  
ATOM    106  H   PHE A   1      -7.312   0.722   1.260  1.00  0.00           H  
ATOM    107  HA  PHE A   1      -5.896   2.727  -0.322  1.00  0.00           H  
ATOM    108  HB1 PHE A   1      -8.674   2.689   0.938  1.00  0.00           H  
ATOM    109  HB2 PHE A   1      -8.051   3.999  -0.094  1.00  0.00           H  
ATOM    110  HD1 PHE A   1      -7.667   3.635  -2.466  1.00  0.00           H  
ATOM    111  HD2 PHE A   1      -9.170   0.502   0.007  1.00  0.00           H  
ATOM    112  HE1 PHE A   1      -8.305   2.358  -4.472  1.00  0.00           H  
ATOM    113  HE2 PHE A   1      -9.807  -0.775  -1.999  1.00  0.00           H  
ATOM    114  HZ  PHE A   1      -9.379   0.154  -4.238  1.00  0.00           H  
ATOM    115  HXT PHE A   1      -5.813   5.288   2.302  1.00  0.00           H  
CONECT    1    3    2   53   54                                       
CONECT    2    4    1    5    7                                       
CONECT    3    1    8   55   56                                       
CONECT    4    6    6    9    2                                       
CONECT    5    2    8   57                                            
CONECT    6    4    4                                                 
CONECT    7    2   58   59   60                                       
CONECT    8    3    5   61   62                                       
CONECT    9   10    4   63                                            
CONECT   10   13   11    9   64                                       
CONECT   11   16   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   15   10   14   65                                       
CONECT   14   13   66   67   68                                       
CONECT   15   13   70   71   69                                       
CONECT   16   19   27   11                                            
CONECT   17   20   22   19   72                                       
CONECT   18   26   19   24   73                                       
CONECT   19   17   18   16   74                                       
CONECT   20   21   17   75   76                                       
CONECT   21   34   23   23   20                                       
CONECT   22   17   28                                                 
CONECT   23   21   21                                                 
CONECT   24   18   25   77   78                                       
CONECT   25   24   79   80   81                                       
CONECT   26   18   82   83   84                                       
CONECT   27   16   85   86   87                                       
CONECT   28   22   88   89   90                                       
CONECT   29   36   37   91   92                                       
CONECT   30   31   93   94   95                                       
CONECT   31   33   30   38   96                                       
CONECT   32   39   97   98   99                                       
CONECT   33   41   40   40   31                                       
CONECT   34   35   37   21                                            
CONECT   35   36   38   34  100                                       
CONECT   36   29   35  101  102                                       
CONECT   37   29   34  103  104                                       
CONECT   38   31   35   39  105                                       
CONECT   39   32   38                                                 
CONECT   40   33   33                                                 
CONECT   41   42   33  106                                            
CONECT   42   45   43   41  107                                       
CONECT   43   44   44   52   42                                       
CONECT   44   43   43                                                 
CONECT   45   46   42  108  109                                       
CONECT   46   47   45   48   48                                       
CONECT   47   49   49   46  110                                       
CONECT   48   46   46   50  111                                       
CONECT   49   47   47   51  112                                       
CONECT   50   51   51   48  113                                       
CONECT   51   49   50   50  114                                       
CONECT   52   43  115                                                 
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   45                                                      
CONECT  109   45                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   52                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
