COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      12.900   0.020  -2.332  1.00  0.00           N  
HETATM    2  C   UNK A   0      11.797  -0.521  -1.525  1.00  0.00           C  
HETATM    3  C   UNK A   0      10.750   0.545  -1.328  1.00  0.00           C  
HETATM    4  O   UNK A   0      11.038   1.714  -1.478  1.00  0.00           O  
HETATM    5  C   UNK A   0      12.333  -0.967  -0.164  1.00  0.00           C  
HETATM    6  C   UNK A   0      13.304  -2.134  -0.355  1.00  0.00           C  
HETATM    7  C   UNK A   0      13.831  -2.575   0.986  1.00  0.00           C  
HETATM    8  O   UNK A   0      13.468  -2.013   1.992  1.00  0.00           O  
HETATM    9  O   UNK A   0      14.705  -3.591   1.063  1.00  0.00           O  
HETATM   10  N   UNK A   0       9.493   0.200  -0.985  1.00  0.00           N  
HETATM   11  C   UNK A   0       8.475   1.235  -0.793  1.00  0.00           C  
HETATM   12  C   UNK A   0       7.405   0.722   0.135  1.00  0.00           C  
HETATM   13  O   UNK A   0       7.484  -0.399   0.591  1.00  0.00           O  
HETATM   14  C   UNK A   0       7.851   1.594  -2.144  1.00  0.00           C  
HETATM   15  C   UNK A   0       8.939   2.115  -3.085  1.00  0.00           C  
HETATM   16  C   UNK A   0       7.203   0.348  -2.752  1.00  0.00           C  
HETATM   17  N   UNK A   0       6.359   1.508   0.458  1.00  0.00           N  
HETATM   18  C   UNK A   0       5.266   0.975   1.275  1.00  0.00           C  
HETATM   19  C   UNK A   0       4.243   0.322   0.382  1.00  0.00           C  
HETATM   20  O   UNK A   0       4.410   0.304  -0.819  1.00  0.00           O  
HETATM   21  C   UNK A   0       4.609   2.116   2.055  1.00  0.00           C  
HETATM   22  C   UNK A   0       5.599   2.688   3.037  1.00  0.00           C  
HETATM   23  O   UNK A   0       6.687   2.171   3.173  1.00  0.00           O  
HETATM   24  N   UNK A   0       5.274   3.775   3.766  1.00  0.00           N  
HETATM   25  C   UNK A   0       4.354  -3.760  -1.222  1.00  0.00           C  
HETATM   26  C   UNK A   0       3.618  -1.691  -2.414  1.00  0.00           C  
HETATM   27  C   UNK A   0       3.868  -2.321  -1.042  1.00  0.00           C  
HETATM   28  C   UNK A   0       2.568  -2.319  -0.236  1.00  0.00           C  
HETATM   29  N   UNK A   0       3.142  -0.242   0.919  1.00  0.00           N  
HETATM   30  C   UNK A   0       2.148  -0.876   0.051  1.00  0.00           C  
HETATM   31  C   UNK A   0       0.785  -0.871   0.748  1.00  0.00           C  
HETATM   32  O   UNK A   0       0.876  -1.594   1.977  1.00  0.00           O  
HETATM   33  C   UNK A   0       0.365   0.572   1.035  1.00  0.00           C  
HETATM   34  C   UNK A   0      -1.043   0.584   1.634  1.00  0.00           C  
HETATM   35  C   UNK A   0      -1.403   2.008   2.061  1.00  0.00           C  
HETATM   36  C   UNK A   0      -2.031   0.103   0.603  1.00  0.00           C  
HETATM   37  O   UNK A   0      -1.647  -0.218  -0.502  1.00  0.00           O  
ATOM     38  N   ALA A   1      -3.342   0.029   0.909  1.00  0.00           N  
ATOM     39  CA  ALA A   1      -4.303  -0.439  -0.093  1.00  0.00           C  
ATOM     40  C   ALA A   1      -5.666   0.121   0.219  1.00  0.00           C  
ATOM     41  O   ALA A   1      -5.821   0.840   1.184  1.00  0.00           O  
ATOM     42  CB  ALA A   1      -4.361  -1.967  -0.070  1.00  0.00           C  
ATOM     43  N   GLU A   2      -6.715  -0.177  -0.574  1.00  0.00           N  
ATOM     44  CA  GLU A   2      -8.041   0.368  -0.270  1.00  0.00           C  
ATOM     45  C   GLU A   2      -9.099  -0.532  -0.855  1.00  0.00           C  
ATOM     46  O   GLU A   2      -8.777  -1.529  -1.466  1.00  0.00           O  
ATOM     47  CB  GLU A   2      -8.168   1.767  -0.876  1.00  0.00           C  
ATOM     48  CG  GLU A   2      -7.177   2.711  -0.192  1.00  0.00           C  
ATOM     49  CD  GLU A   2      -7.303   4.089  -0.788  1.00  0.00           C  
ATOM     50  OE1 GLU A   2      -8.104   4.295  -1.669  1.00  0.00           O  
ATOM     51  OE2 GLU A   2      -6.526   5.088  -0.340  1.00  0.00           O  
ATOM     52  N   PHE A   3     -10.403  -0.228  -0.700  1.00  0.00           N  
ATOM     53  CA  PHE A   3     -11.432  -1.102  -1.270  1.00  0.00           C  
ATOM     54  C   PHE A   3     -11.665  -0.730  -2.711  1.00  0.00           C  
ATOM     55  O   PHE A   3     -11.037   0.172  -3.212  1.00  0.00           O  
ATOM     56  CB  PHE A   3     -12.733  -0.937  -0.483  1.00  0.00           C  
ATOM     57  CG  PHE A   3     -12.532  -1.424   0.929  1.00  0.00           C  
ATOM     58  CD1 PHE A   3     -12.101  -0.549   1.908  1.00  0.00           C  
ATOM     59  CD2 PHE A   3     -12.785  -2.746   1.246  1.00  0.00           C  
ATOM     60  CE1 PHE A   3     -11.917  -0.996   3.203  1.00  0.00           C  
ATOM     61  CE2 PHE A   3     -12.601  -3.193   2.541  1.00  0.00           C  
ATOM     62  CZ  PHE A   3     -12.164  -2.318   3.519  1.00  0.00           C  
ATOM     63  OXT PHE A   3     -12.571  -1.402  -3.439  1.00  0.00           O  
HETATM   64  H   UNK A   0      13.327   0.812  -1.876  1.00  0.00           H  
HETATM   65  H   UNK A   0      13.584  -0.694  -2.533  1.00  0.00           H  
HETATM   66  H   UNK A   0      11.355  -1.374  -2.040  1.00  0.00           H  
HETATM   67  H   UNK A   0      12.853  -0.137   0.313  1.00  0.00           H  
HETATM   68  H   UNK A   0      11.502  -1.286   0.467  1.00  0.00           H  
HETATM   69  H   UNK A   0      12.783  -2.965  -0.832  1.00  0.00           H  
HETATM   70  H   UNK A   0      14.134  -1.816  -0.986  1.00  0.00           H  
HETATM   71  H   UNK A   0      15.015  -3.837   1.945  1.00  0.00           H  
HETATM   72  H   UNK A   0       9.263  -0.735  -0.865  1.00  0.00           H  
HETATM   73  H   UNK A   0       8.937   2.123  -0.359  1.00  0.00           H  
HETATM   74  H   UNK A   0       7.094   2.364  -2.001  1.00  0.00           H  
HETATM   75  H   UNK A   0       8.494   2.370  -4.047  1.00  0.00           H  
HETATM   76  H   UNK A   0       9.400   3.002  -2.652  1.00  0.00           H  
HETATM   77  H   UNK A   0       9.696   1.344  -3.228  1.00  0.00           H  
HETATM   78  H   UNK A   0       6.429  -0.023  -2.081  1.00  0.00           H  
HETATM   79  H   UNK A   0       6.759   0.603  -3.714  1.00  0.00           H  
HETATM   80  H   UNK A   0       7.961  -0.423  -2.895  1.00  0.00           H  
HETATM   81  H   UNK A   0       6.329   2.427   0.148  1.00  0.00           H  
HETATM   82  H   UNK A   0       5.662   0.238   1.974  1.00  0.00           H  
HETATM   83  H   UNK A   0       4.294   2.895   1.362  1.00  0.00           H  
HETATM   84  H   UNK A   0       3.741   1.735   2.593  1.00  0.00           H  
HETATM   85  H   UNK A   0       4.403   4.188   3.657  1.00  0.00           H  
HETATM   86  H   UNK A   0       5.910   4.143   4.398  1.00  0.00           H  
HETATM   87  H   UNK A   0       5.281  -3.761  -1.797  1.00  0.00           H  
HETATM   88  H   UNK A   0       4.532  -4.209  -0.245  1.00  0.00           H  
HETATM   89  H   UNK A   0       3.597  -4.336  -1.754  1.00  0.00           H  
HETATM   90  H   UNK A   0       3.272  -0.666  -2.286  1.00  0.00           H  
HETATM   91  H   UNK A   0       4.545  -1.693  -2.989  1.00  0.00           H  
HETATM   92  H   UNK A   0       2.861  -2.267  -2.946  1.00  0.00           H  
HETATM   93  H   UNK A   0       4.626  -1.745  -0.511  1.00  0.00           H  
HETATM   94  H   UNK A   0       1.785  -2.819  -0.808  1.00  0.00           H  
HETATM   95  H   UNK A   0       2.723  -2.846   0.705  1.00  0.00           H  
HETATM   96  H   UNK A   0       3.009  -0.227   1.880  1.00  0.00           H  
HETATM   97  H   UNK A   0       2.078  -0.325  -0.887  1.00  0.00           H  
HETATM   98  H   UNK A   0       0.045  -1.343   0.102  1.00  0.00           H  
HETATM   99  H   UNK A   0       1.518  -1.229   2.602  1.00  0.00           H  
HETATM  100  H   UNK A   0       1.064   1.020   1.741  1.00  0.00           H  
HETATM  101  H   UNK A   0       0.370   1.143   0.106  1.00  0.00           H  
HETATM  102  H   UNK A   0      -1.074  -0.075   2.502  1.00  0.00           H  
HETATM  103  H   UNK A   0      -2.369   2.002   2.567  1.00  0.00           H  
HETATM  104  H   UNK A   0      -0.640   2.388   2.740  1.00  0.00           H  
HETATM  105  H   UNK A   0      -1.459   2.648   1.181  1.00  0.00           H  
ATOM    106  H   ALA A   1      -3.649   0.285   1.793  1.00  0.00           H  
ATOM    107  HA  ALA A   1      -3.989  -0.102  -1.082  1.00  0.00           H  
ATOM    108  HB1 ALA A   1      -4.674  -2.304   0.919  1.00  0.00           H  
ATOM    109  HB2 ALA A   1      -5.076  -2.315  -0.815  1.00  0.00           H  
ATOM    110  HB3 ALA A   1      -3.375  -2.372  -0.296  1.00  0.00           H  
ATOM    111  H   GLU A   2      -6.592  -0.752  -1.345  1.00  0.00           H  
ATOM    112  HA  GLU A   2      -8.171   0.426   0.811  1.00  0.00           H  
ATOM    113  HB1 GLU A   2      -7.951   1.722  -1.943  1.00  0.00           H  
ATOM    114  HB2 GLU A   2      -9.183   2.136  -0.727  1.00  0.00           H  
ATOM    115  HG1 GLU A   2      -7.395   2.755   0.875  1.00  0.00           H  
ATOM    116  HG2 GLU A   2      -6.162   2.342  -0.341  1.00  0.00           H  
ATOM    117  HE2 GLU A   2      -6.643   5.954  -0.753  1.00  0.00           H  
ATOM    118  H   PHE A   3     -10.660   0.570  -0.212  1.00  0.00           H  
ATOM    119  HA  PHE A   3     -11.100  -2.139  -1.211  1.00  0.00           H  
ATOM    120  HB1 PHE A   3     -13.017   0.116  -0.467  1.00  0.00           H  
ATOM    121  HB2 PHE A   3     -13.522  -1.519  -0.960  1.00  0.00           H  
ATOM    122  HD1 PHE A   3     -11.907   0.485   1.660  1.00  0.00           H  
ATOM    123  HD2 PHE A   3     -13.127  -3.428   0.483  1.00  0.00           H  
ATOM    124  HE1 PHE A   3     -11.578  -0.312   3.967  1.00  0.00           H  
ATOM    125  HE2 PHE A   3     -12.799  -4.225   2.790  1.00  0.00           H  
ATOM    126  HZ  PHE A   3     -12.020  -2.668   4.531  1.00  0.00           H  
ATOM    127  HXT PHE A   3     -12.686  -1.127  -4.359  1.00  0.00           H  
CONECT    1    2   64   65                                            
CONECT    2    1    3    5   66                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   67   68                                       
CONECT    6    5    7   69   70                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   71                                                 
CONECT   10   11   72    3                                            
CONECT   11   10   12   14   73                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   74                                       
CONECT   15   14   75   76   77                                       
CONECT   16   14   78   79   80                                       
CONECT   17   18   81   12                                            
CONECT   18   17   19   21   82                                       
CONECT   19   18   20   20   29                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   83   84                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   85   86                                            
CONECT   25   27   87   88   89                                       
CONECT   26   27   90   91   92                                       
CONECT   27   25   26   28   93                                       
CONECT   28   27   30   94   95                                       
CONECT   29   30   96   19                                            
CONECT   30   28   29   31   97                                       
CONECT   31   30   32   98   33                                       
CONECT   32   31   99                                                 
CONECT   33   31   34  100  101                                       
CONECT   34   33   35   36  102                                       
CONECT   35   34  103  104  105                                       
CONECT   36   34   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   39  106   36                                            
CONECT   39   38   40   42  107                                       
CONECT   40   39   41   41   43                                       
CONECT   41   40   40                                                 
CONECT   42   39  108  109  110                                       
CONECT   43   44  111   40                                            
CONECT   44   43   45   47  112                                       
CONECT   45   44   46   46   52                                       
CONECT   46   45   45                                                 
CONECT   47   44   48  113  114                                       
CONECT   48   47   49  115  116                                       
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49  117                                                 
CONECT   52   53  118   45                                            
CONECT   53   52   54   56  119                                       
CONECT   54   53   55   55   63                                       
CONECT   55   54   54                                                 
CONECT   56   53   57  120  121                                       
CONECT   57   56   58   58   59                                       
CONECT   58   57   57   60  122                                       
CONECT   59   57   61   61  123                                       
CONECT   60   58   62   62  124                                       
CONECT   61   59   59   62  125                                       
CONECT   62   60   60   61  126                                       
CONECT   63   54  127                                                 
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    2                                                      
CONECT   67    5                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    6                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   16                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   24                                                      
CONECT   86   24                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   38                                                      
CONECT  107   39                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   47                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
CONECT  116   48                                                      
CONECT  117   51                                                      
CONECT  118   52                                                      
CONECT  119   53                                                      
CONECT  120   56                                                      
CONECT  121   56                                                      
CONECT  122   58                                                      
CONECT  123   59                                                      
CONECT  124   60                                                      
CONECT  125   61                                                      
CONECT  126   62                                                      
CONECT  127   63                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
