COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       1.095  -3.658  -0.907  1.00  0.00           C  
HETATM    2  C   UNK A   1       1.951  -4.750  -0.968  1.00  0.00           C  
HETATM    3  C   UNK A   1       2.438  -5.088  -2.220  1.00  0.00           C  
HETATM    4  C   UNK A   1       2.087  -4.357  -3.376  1.00  0.00           C  
HETATM    5  C   UNK A   1       1.236  -3.264  -3.314  1.00  0.00           C  
HETATM    6  C   UNK A   1       0.747  -2.923  -2.059  1.00  0.00           C  
HETATM    7  C   UNK A   1       3.337  -6.168  -2.594  1.00  0.00           C  
HETATM    8  C   UNK A   1       3.528  -6.109  -3.921  1.00  0.00           C  
HETATM    9  C   UNK A   1       2.774  -4.964  -4.571  1.00  0.00           C  
HETATM   10  C   UNK A   1      -0.171  -1.783  -1.719  1.00  0.00           C  
HETATM   11  C   UNK A   1      -0.632  -2.167  -0.291  1.00  0.00           C  
HETATM   12  C   UNK A   1       0.449  -3.082   0.317  1.00  0.00           C  
HETATM   13  C   UNK A   1       3.706  -3.988  -5.280  1.00  0.00           C  
HETATM   14  O   UNK A   1       2.980  -2.843  -5.722  1.00  0.00           O  
HETATM   15  C   UNK A   1       3.547  -2.428  -6.895  1.00  0.00           C  
HETATM   16  O   UNK A   1       4.437  -3.358  -7.355  1.00  0.00           O  
HETATM   17  C   UNK A   1       4.283  -4.523  -6.557  1.00  0.00           C  
HETATM   18  O   UNK A   1       3.292  -1.372  -7.455  1.00  0.00           O  
HETATM   19  O   UNK A   1      -1.847  -2.919  -0.388  1.00  0.00           O  
HETATM   20  C   UNK A   1      -2.902  -2.263  -0.934  1.00  0.00           C  
HETATM   21  O   UNK A   1      -2.907  -1.112  -1.341  1.00  0.00           O  
HETATM   22  O   UNK A   1       1.810  -5.446  -5.498  1.00  0.00           O  
HETATM   23  C   UNK A   1      -4.094  -3.147  -0.976  1.00  0.00           C  
HETATM   24  C   UNK A   1      -3.778  -4.796  -4.295  1.00  0.00           C  
HETATM   25  C   UNK A   1      -3.496  -3.974  -3.202  1.00  0.00           C  
HETATM   26  C   UNK A   1      -4.345  -3.954  -2.084  1.00  0.00           C  
HETATM   27  C   UNK A   1      -5.495  -4.778  -2.072  1.00  0.00           C  
HETATM   28  C   UNK A   1      -5.763  -5.599  -3.180  1.00  0.00           C  
HETATM   29  C   UNK A   1      -4.909  -5.606  -4.284  1.00  0.00           C  
HETATM   30  C   UNK A   1      -4.931  -3.126   0.128  1.00  0.00           C  
HETATM   31  C   UNK A   1      -6.062  -3.937   0.138  1.00  0.00           C  
HETATM   32  C   UNK A   1      -6.344  -4.758  -0.954  1.00  0.00           C  
HETATM   33  O   UNK A   1      -4.680  -2.334   1.208  1.00  0.00           O  
HETATM   34  C   UNK A   1      -6.961  -6.495  -3.234  1.00  0.00           C  
HETATM   35  O   UNK A   1      -2.944  -4.806  -5.371  1.00  0.00           O  
HETATM   36  C   UNK A   1      -3.292  -5.668  -6.453  1.00  0.00           C  
HETATM   37  C   UNK A   1       2.120  -1.441   3.227  1.00  0.00           C  
HETATM   38  C   UNK A   1       1.112  -2.271   2.424  1.00  0.00           C  
HETATM   39  O   UNK A   1       0.975  -3.583   2.983  1.00  0.00           O  
HETATM   40  C   UNK A   1       2.206  -4.318   3.034  1.00  0.00           C  
HETATM   41  C   UNK A   1       3.464  -2.160   3.362  1.00  0.00           C  
HETATM   42  C   UNK A   1       3.240  -3.580   3.894  1.00  0.00           C  
HETATM   43  O   UNK A   1       2.760  -3.518   5.240  1.00  0.00           O  
HETATM   44  C   UNK A   1       1.881  -5.704   3.581  1.00  0.00           C  
HETATM   45  O   UNK A   1       1.412  -2.325   1.031  1.00  0.00           O  
HETATM   46  N   UNK A   1       2.313  -0.123   2.564  1.00  0.00           N  
HETATM   47  C   UNK A   1       3.176   0.820   3.323  1.00  0.00           C  
HETATM   48  O   UNK A   1       4.322  -1.471   4.267  1.00  0.00           O  
HETATM   49  N   UNK A   1       0.052   2.859  -2.566  1.00  0.00           N  
HETATM   50  C   UNK A   1      -0.345   2.366  -1.271  1.00  0.00           C  
HETATM   51  C   UNK A   1      -0.691   0.876  -1.295  1.00  0.00           C  
HETATM   52  S   UNK A   1       0.702  -0.188  -1.736  1.00  0.00           S  
HETATM   53  C   UNK A   1       0.739   2.720  -0.255  1.00  0.00           C  
HETATM   54  O   UNK A   1       1.938   2.716  -0.525  1.00  0.00           O  
ATOM     55  N   GLY A   2       0.210   3.016   0.994  1.00  0.00           N  
ATOM     56  CA  GLY A   2       1.037   3.357   2.128  1.00  0.00           C  
ATOM     57  C   GLY A   2       1.235   4.842   2.148  1.00  0.00           C  
ATOM     58  O   GLY A   2       0.767   5.647   1.357  1.00  0.00           O  
ATOM     59  OXT GLY A   2       2.028   5.190   3.194  1.00  0.00           O  
HETATM   60  C   UNK A   1      -0.858   3.346  -3.497  1.00  0.00           C  
HETATM   61  O   UNK A   1      -2.072   3.411  -3.326  1.00  0.00           O  
HETATM   62  C   UNK A   1      -0.166   3.826  -4.762  1.00  0.00           C  
HETATM   63  C   UNK A   1      -1.129   4.373  -5.817  1.00  0.00           C  
HETATM   64  C   UNK A   1      -0.431   4.820  -7.104  1.00  0.00           C  
HETATM   65  C   UNK A   1      -1.451   5.324  -8.106  1.00  0.00           C  
HETATM   66  O   UNK A   1      -1.683   4.814  -9.195  1.00  0.00           O  
HETATM   67  O   UNK A   1      -2.062   6.460  -7.680  1.00  0.00           O  
HETATM   68  N   UNK A   1       0.278   3.744  -7.747  1.00  0.00           N  
HETATM   69  H   UNK A   1       2.221  -5.308  -0.079  1.00  0.00           H  
HETATM   70  H   UNK A   1       0.968  -2.703  -4.201  1.00  0.00           H  
HETATM   71  H   UNK A   1       3.758  -6.886  -1.909  1.00  0.00           H  
HETATM   72  H   UNK A   1       4.148  -6.802  -4.473  1.00  0.00           H  
HETATM   73  H   UNK A   1      -1.017  -1.748  -2.414  1.00  0.00           H  
HETATM   74  H   UNK A   1      -0.853  -1.299   0.339  1.00  0.00           H  
HETATM   75  H   UNK A   1       0.030  -3.861   0.962  1.00  0.00           H  
HETATM   76  H   UNK A   1       4.489  -3.643  -4.596  1.00  0.00           H  
HETATM   77  H   UNK A   1       5.248  -5.015  -6.405  1.00  0.00           H  
HETATM   78  H   UNK A   1       3.612  -5.212  -7.082  1.00  0.00           H  
HETATM   79  H   UNK A   1       2.113  -6.321  -5.786  1.00  0.00           H  
HETATM   80  H   UNK A   1      -2.603  -3.354  -3.245  1.00  0.00           H  
HETATM   81  H   UNK A   1      -5.123  -6.245  -5.137  1.00  0.00           H  
HETATM   82  H   UNK A   1      -6.732  -3.936   0.994  1.00  0.00           H  
HETATM   83  H   UNK A   1      -7.236  -5.377  -0.907  1.00  0.00           H  
HETATM   84  H   UNK A   1      -4.893  -2.808   2.027  1.00  0.00           H  
HETATM   85  H   UNK A   1      -6.665  -7.501  -3.548  1.00  0.00           H  
HETATM   86  H   UNK A   1      -7.447  -6.560  -2.254  1.00  0.00           H  
HETATM   87  H   UNK A   1      -7.707  -6.111  -3.938  1.00  0.00           H  
HETATM   88  H   UNK A   1      -4.166  -6.264  -6.179  1.00  0.00           H  
HETATM   89  H   UNK A   1      -2.448  -6.324  -6.682  1.00  0.00           H  
HETATM   90  H   UNK A   1      -3.527  -5.061  -7.330  1.00  0.00           H  
HETATM   91  H   UNK A   1       1.721  -1.214   4.222  1.00  0.00           H  
HETATM   92  H   UNK A   1       0.126  -1.799   2.501  1.00  0.00           H  
HETATM   93  H   UNK A   1       2.585  -4.440   2.012  1.00  0.00           H  
HETATM   94  H   UNK A   1       3.972  -2.207   2.391  1.00  0.00           H  
HETATM   95  H   UNK A   1       4.189  -4.127   3.923  1.00  0.00           H  
HETATM   96  H   UNK A   1       3.054  -4.335   5.670  1.00  0.00           H  
HETATM   97  H   UNK A   1       1.116  -6.190   2.968  1.00  0.00           H  
HETATM   98  H   UNK A   1       2.774  -6.336   3.583  1.00  0.00           H  
HETATM   99  H   UNK A   1       1.507  -5.634   4.607  1.00  0.00           H  
HETATM  100  H   UNK A   1       2.716  -0.273   1.630  1.00  0.00           H  
HETATM  101  H   UNK A   1       2.778   1.819   3.139  1.00  0.00           H  
HETATM  102  H   UNK A   1       3.101   0.531   4.372  1.00  0.00           H  
HETATM  103  H   UNK A   1       4.186   0.698   2.930  1.00  0.00           H  
HETATM  104  H   UNK A   1       4.208  -1.894   5.133  1.00  0.00           H  
HETATM  105  H   UNK A   1       1.039   2.849  -2.809  1.00  0.00           H  
HETATM  106  H   UNK A   1      -1.247   2.932  -1.004  1.00  0.00           H  
HETATM  107  H   UNK A   1      -1.055   0.549  -0.316  1.00  0.00           H  
HETATM  108  H   UNK A   1      -1.488   0.689  -2.023  1.00  0.00           H  
ATOM    109  H   GLY A   2      -0.797   3.037   1.118  1.00  0.00           H  
ATOM    110  HA1 GLY A   2       2.004   2.859   2.026  1.00  0.00           H  
ATOM    111  HA2 GLY A   2       0.535   3.037   3.045  1.00  0.00           H  
ATOM    112  HXT GLY A   2       2.176   6.159   3.234  1.00  0.00           H  
HETATM  113  H   UNK A   1       0.441   3.013  -5.175  1.00  0.00           H  
HETATM  114  H   UNK A   1       0.522   4.628  -4.464  1.00  0.00           H  
HETATM  115  H   UNK A   1      -1.671   5.223  -5.383  1.00  0.00           H  
HETATM  116  H   UNK A   1      -1.888   3.614  -6.050  1.00  0.00           H  
HETATM  117  H   UNK A   1       0.311   5.604  -6.921  1.00  0.00           H  
HETATM  118  H   UNK A   1      -2.707   6.849  -8.308  1.00  0.00           H  
HETATM  119  H   UNK A   1       1.282   3.710  -7.678  1.00  0.00           H  
HETATM  120  H   UNK A   1      -0.207   3.168  -8.414  1.00  0.00           H  
CONECT    1    2    2    6   12                                       
CONECT    2    1    1    3   69                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   70                                       
CONECT    6    1    5    5   10                                       
CONECT    7    3    8    8   71                                       
CONECT    8    7    7    9   72                                       
CONECT    9    4    8   13   22                                       
CONECT   10    6   11   52   73                                       
CONECT   11   10   12   19   74                                       
CONECT   12    1   11   45   75                                       
CONECT   13    9   14   17   76                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   18   18                                       
CONECT   16   15   17                                                 
CONECT   17   13   16   77   78                                       
CONECT   18   15   15                                                 
CONECT   19   11   20                                                 
CONECT   20   19   21   21   23                                       
CONECT   21   20   20                                                 
CONECT   22    9   79                                                 
CONECT   23   20   26   30   30                                       
CONECT   24   25   25   29   35                                       
CONECT   25   24   24   26   80                                       
CONECT   26   23   25   27   27                                       
CONECT   27   26   26   28   32                                       
CONECT   28   27   29   29   34                                       
CONECT   29   24   28   28   81                                       
CONECT   30   23   23   31   33                                       
CONECT   31   30   32   32   82                                       
CONECT   32   27   31   31   83                                       
CONECT   33   30   84                                                 
CONECT   34   28   85   86   87                                       
CONECT   35   24   36                                                 
CONECT   36   35   88   89   90                                       
CONECT   37   38   41   46   91                                       
CONECT   38   37   39   45   92                                       
CONECT   39   38   40                                                 
CONECT   40   39   42   44   93                                       
CONECT   41   37   42   48   94                                       
CONECT   42   40   41   43   95                                       
CONECT   43   42   96                                                 
CONECT   44   40   97   98   99                                       
CONECT   45   12   38                                                 
CONECT   46   37   47  100                                            
CONECT   47   46  101  102  103                                       
CONECT   48   41  104                                                 
CONECT   49   50   60  105                                            
CONECT   50   49   51   53  106                                       
CONECT   51   50   52  107  108                                       
CONECT   52   10   51                                                 
CONECT   53   50   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   56  109                                            
CONECT   56   55   57  110  111                                       
CONECT   57   56   58   58   59                                       
CONECT   58   57   57                                                 
CONECT   59   57  112                                                 
CONECT   60   49   61   61   62                                       
CONECT   61   60   60                                                 
CONECT   62   60   63  113  114                                       
CONECT   63   62   64  115  116                                       
CONECT   64   63   65   68  117                                       
CONECT   65   64   66   66   67                                       
CONECT   66   65   65                                                 
CONECT   67   65  118                                                 
CONECT   68   64  119  120                                            
CONECT   69    2                                                      
CONECT   70    5                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   22                                                      
CONECT   80   25                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   51                                                      
CONECT  109   55                                                      
CONECT  110   56                                                      
CONECT  111   56                                                      
CONECT  112   59                                                      
CONECT  113   62                                                      
CONECT  114   62                                                      
CONECT  115   63                                                      
CONECT  116   63                                                      
CONECT  117   64                                                      
CONECT  118   67                                                      
CONECT  119   68                                                      
CONECT  120   68                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
