COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   GLY A   1      61.789  -5.293  27.607  1.00  0.00           N  
ATOM      2  CA  GLY A   1      62.222  -4.073  26.910  1.00  0.00           C  
ATOM      3  C   GLY A   1      61.168  -3.603  25.937  1.00  0.00           C  
ATOM      4  O   GLY A   1      61.156  -4.059  24.797  1.00  0.00           O  
HETATM    5  N   UNK A   2      60.278  -2.696  26.342  1.00  0.00           N  
HETATM    6  C   UNK A   2      59.139  -2.240  25.517  1.00  0.00           C  
HETATM    7  C   UNK A   2      57.838  -2.658  26.223  1.00  0.00           C  
HETATM    8  C   UNK A   2      57.575  -4.152  26.488  1.00  0.00           C  
HETATM    9  C   UNK A   2      57.756  -4.935  25.179  1.00  0.00           C  
HETATM   10  S   UNK A   2      56.726  -6.418  24.986  1.00  0.00           S  
HETATM   11  S   UNK A   2      58.477  -4.903  27.864  1.00  0.00           S  
HETATM   12  C   UNK A   2      59.098  -0.717  25.231  1.00  0.00           C  
HETATM   13  O   UNK A   2      58.134  -0.225  24.651  1.00  0.00           O  
ATOM     14  N   ALA A   3      60.111   0.033  25.665  1.00  0.00           N  
ATOM     15  CA  ALA A   3      60.184   1.502  25.598  1.00  0.00           C  
ATOM     16  C   ALA A   3      59.939   2.127  24.202  1.00  0.00           C  
ATOM     17  O   ALA A   3      59.578   3.299  24.103  1.00  0.00           O  
ATOM     18  CB  ALA A   3      61.557   1.916  26.144  1.00  0.00           C  
HETATM   19  N   UNK A   4      60.109   1.360  23.122  1.00  0.00           N  
HETATM   20  C   UNK A   4      59.909   1.765  21.723  1.00  0.00           C  
HETATM   21  C   UNK A   4      58.668   1.093  21.083  1.00  0.00           C  
HETATM   22  O   UNK A   4      58.418   1.241  19.884  1.00  0.00           O  
HETATM   23  C   UNK A   4      61.220   1.441  20.995  1.00  0.00           C  
HETATM   24  O   UNK A   4      61.243   1.793  19.627  1.00  0.00           O  
HETATM   25  N   UNK A   4      57.865   0.361  21.864  1.00  0.00           N  
HETATM   26  C   UNK A   4      56.679  -0.392  21.426  1.00  0.00           C  
HETATM   27  C   UNK A   4      55.452  -0.130  22.344  1.00  0.00           C  
HETATM   28  O   UNK A   4      55.131  -0.956  23.208  1.00  0.00           O  
HETATM   29  C   UNK A   4      57.068  -1.882  21.362  1.00  0.00           C  
HETATM   30  C   UNK A   4      56.001  -2.761  20.706  1.00  0.00           C  
HETATM   31  O   UNK A   4      55.490  -2.397  19.614  1.00  0.00           O  
HETATM   32  O   UNK A   4      55.737  -3.877  21.207  1.00  0.00           O  
HETATM   33  N   UNK A   4      54.738   1.005  22.170  1.00  0.00           N  
HETATM   34  C   UNK A   4      53.565   1.402  22.964  1.00  0.00           C  
HETATM   35  C   UNK A   4      52.523   0.302  23.239  1.00  0.00           C  
HETATM   36  O   UNK A   4      52.019   0.226  24.364  1.00  0.00           O  
HETATM   37  C   UNK A   4      52.942   2.563  22.183  1.00  0.00           C  
HETATM   38  C   UNK A   4      54.168   3.252  21.592  1.00  0.00           C  
HETATM   39  C   UNK A   4      55.066   2.073  21.229  1.00  0.00           C  
HETATM   40  N   UNK A   4      52.235  -0.575  22.262  1.00  0.00           N  
HETATM   41  C   UNK A   4      51.318  -1.736  22.367  1.00  0.00           C  
HETATM   42  C   UNK A   4      51.736  -2.820  23.372  1.00  0.00           C  
HETATM   43  O   UNK A   4      50.957  -3.742  23.624  1.00  0.00           O  
HETATM   44  C   UNK A   4      51.105  -2.371  20.979  1.00  0.00           C  
HETATM   45  C   UNK A   4      50.446  -1.491  19.903  1.00  0.00           C  
HETATM   46  C   UNK A   4      48.965  -1.153  20.156  1.00  0.00           C  
HETATM   47  N   UNK A   4      48.795  -0.107  21.180  1.00  0.00           N  
HETATM   48  C   UNK A   4      49.119   1.168  21.080  1.00  0.00           C  
HETATM   49  N   UNK A   4      49.468   1.713  19.949  1.00  0.00           N  
HETATM   50  N   UNK A   4      49.117   1.908  22.148  1.00  0.00           N1+
HETATM   51  N   UNK A   4      52.926  -2.711  23.963  1.00  0.00           N  
HETATM   52  C   UNK A   4      53.393  -3.519  25.091  1.00  0.00           C  
HETATM   53  C   UNK A   4      53.927  -2.664  26.253  1.00  0.00           C  
HETATM   54  O   UNK A   4      54.006  -3.133  27.388  1.00  0.00           O  
HETATM   55  C   UNK A   4      54.496  -4.429  24.557  1.00  0.00           C  
HETATM   56  S   UNK A   2      54.898  -5.819  25.642  1.00  0.00           S  
HETATM   57  N   UNK A   4      54.305  -1.406  25.999  1.00  0.00           N  
HETATM   58  C   UNK A   4      54.920  -0.530  26.992  1.00  0.00           C  
HETATM   59  C   UNK A   4      54.061  -0.312  28.257  1.00  0.00           C  
HETATM   60  O   UNK A   4      54.603  -0.173  29.353  1.00  0.00           O  
HETATM   61  C   UNK A   4      55.271   0.792  26.306  1.00  0.00           C  
HETATM   62  N   UNK A   4      52.729  -0.375  28.137  1.00  0.00           N  
HETATM   63  C   UNK A   4      51.780  -0.388  29.262  1.00  0.00           C  
HETATM   64  C   UNK A   4      52.066  -1.471  30.323  1.00  0.00           C  
HETATM   65  O   UNK A   4      51.690  -1.288  31.485  1.00  0.00           O  
HETATM   66  C   UNK A   4      50.357  -0.555  28.706  1.00  0.00           C  
HETATM   67  C   UNK A   4      50.121  -1.807  27.914  1.00  0.00           C  
HETATM   68  C   UNK A   4      50.163  -1.900  26.567  1.00  0.00           C  
HETATM   69  C   UNK A   4      49.829  -3.160  28.396  1.00  0.00           C  
HETATM   70  N   UNK A   4      49.948  -3.209  26.187  1.00  0.00           N  
HETATM   71  C   UNK A   4      49.763  -4.034  27.271  1.00  0.00           C  
HETATM   72  C   UNK A   4      49.633  -3.743  29.668  1.00  0.00           C  
HETATM   73  C   UNK A   4      49.546  -5.415  27.397  1.00  0.00           C  
HETATM   74  C   UNK A   4      49.412  -5.128  29.808  1.00  0.00           C  
HETATM   75  C   UNK A   4      49.380  -5.965  28.680  1.00  0.00           C  
HETATM   76  N   UNK A   4      52.741  -2.579  29.972  1.00  0.00           N  
HETATM   77  C   UNK A   4      53.144  -3.652  30.903  1.00  0.00           C  
HETATM   78  C   UNK A   4      54.483  -3.375  31.605  1.00  0.00           C  
HETATM   79  O   UNK A   4      54.680  -3.860  32.721  1.00  0.00           O  
HETATM   80  C   UNK A   4      53.194  -4.993  30.140  1.00  0.00           C  
HETATM   81  C   UNK A   4      53.155  -6.214  31.080  1.00  0.00           C  
HETATM   82  C   UNK A   4      53.431  -7.514  30.318  1.00  0.00           C  
HETATM   83  N   UNK A   4      53.255  -8.703  31.174  1.00  0.00           N  
HETATM   84  C   UNK A   4      53.938  -9.835  31.137  1.00  0.00           C  
HETATM   85  N   UNK A   4      55.016 -10.000  30.424  1.00  0.00           N  
HETATM   86  N   UNK A   4      53.542 -10.852  31.841  1.00  0.00           N1+
HETATM   87  N   UNK A   4      55.384  -2.639  30.950  1.00  0.00           N  
HETATM   88  C   UNK A   4      56.814  -2.554  31.292  1.00  0.00           C  
HETATM   89  C   UNK A   4      57.297  -1.165  31.762  1.00  0.00           C  
HETATM   90  O   UNK A   4      56.673  -0.131  31.527  1.00  0.00           O  
HETATM   91  C   UNK A   4      57.630  -2.997  30.074  1.00  0.00           C  
HETATM   92  S   UNK A   2      57.230  -4.649  29.450  1.00  0.00           S  
HETATM   93  N   UNK A   4      58.467  -1.108  32.385  1.00  0.00           N  
ATOM     94  H1  GLY A   1      62.502  -5.584  28.245  1.00  0.00           H  
ATOM     95  H2  GLY A   1      60.946  -5.107  28.112  1.00  0.00           H  
ATOM     96  HA1 GLY A   1      62.406  -3.281  27.651  1.00  0.00           H  
ATOM     97  HA2 GLY A   1      63.151  -4.283  26.360  1.00  0.00           H  
HETATM   98  H   UNK A   2      60.387  -2.302  27.255  1.00  0.00           H  
HETATM   99  H   UNK A   2      59.178  -2.760  24.549  1.00  0.00           H  
HETATM  100  H   UNK A   2      57.005  -2.289  25.607  1.00  0.00           H  
HETATM  101  H   UNK A   2      57.825  -2.151  27.199  1.00  0.00           H  
HETATM  102  H   UNK A   2      56.517  -4.245  26.773  1.00  0.00           H  
HETATM  103  H   UNK A   2      57.525  -4.255  24.346  1.00  0.00           H  
HETATM  104  H   UNK A   2      58.809  -5.247  25.117  1.00  0.00           H  
ATOM    105  H   ALA A   3      60.890  -0.444  26.072  1.00  0.00           H  
ATOM    106  HA  ALA A   3      59.423   1.914  26.277  1.00  0.00           H  
ATOM    107  HB1 ALA A   3      61.650   3.011  26.110  1.00  0.00           H  
ATOM    108  HB2 ALA A   3      61.657   1.571  27.184  1.00  0.00           H  
ATOM    109  HB3 ALA A   3      62.348   1.462  25.529  1.00  0.00           H  
HETATM  110  H   UNK A   4      60.401   0.417  23.281  1.00  0.00           H  
HETATM  111  H   UNK A   4      59.759   2.854  21.686  1.00  0.00           H  
HETATM  112  H   UNK A   4      62.034   1.981  21.501  1.00  0.00           H  
HETATM  113  H   UNK A   4      61.395   0.358  21.072  1.00  0.00           H  
HETATM  114  H   UNK A   4      60.365   1.733  19.269  1.00  0.00           H  
HETATM  115  H   UNK A   4      58.092   0.322  22.837  1.00  0.00           H  
HETATM  116  H   UNK A   4      56.411  -0.069  20.409  1.00  0.00           H  
HETATM  117  H   UNK A   4      58.000  -1.975  20.784  1.00  0.00           H  
HETATM  118  H   UNK A   4      57.235  -2.243  22.388  1.00  0.00           H  
HETATM  119  H   UNK A   4      55.130  -4.342  20.643  1.00  0.00           H  
HETATM  120  H   UNK A   4      53.910   1.791  23.934  1.00  0.00           H  
HETATM  121  H   UNK A   4      52.271   2.197  21.392  1.00  0.00           H  
HETATM  122  H   UNK A   4      52.388   3.240  22.850  1.00  0.00           H  
HETATM  123  H   UNK A   4      53.903   3.839  20.700  1.00  0.00           H  
HETATM  124  H   UNK A   4      54.651   3.907  22.332  1.00  0.00           H  
HETATM  125  H   UNK A   4      56.125   2.356  21.327  1.00  0.00           H  
HETATM  126  H   UNK A   4      54.868   1.746  20.198  1.00  0.00           H  
HETATM  127  H   UNK A   4      52.682  -0.431  21.379  1.00  0.00           H  
HETATM  128  H   UNK A   4      50.340  -1.356  22.696  1.00  0.00           H  
HETATM  129  H   UNK A   4      52.091  -2.677  20.599  1.00  0.00           H  
HETATM  130  H   UNK A   4      50.472  -3.260  21.114  1.00  0.00           H  
HETATM  131  H   UNK A   4      51.006  -0.546  19.844  1.00  0.00           H  
HETATM  132  H   UNK A   4      50.516  -2.019  18.941  1.00  0.00           H  
HETATM  133  H   UNK A   4      48.517  -0.802  19.215  1.00  0.00           H  
HETATM  134  H   UNK A   4      48.447  -2.064  20.492  1.00  0.00           H  
HETATM  135  H   UNK A   4      48.389  -0.396  22.047  1.00  0.00           H  
HETATM  136  H   UNK A   4      49.726   2.679  19.918  1.00  0.00           H  
HETATM  137  H   UNK A   4      49.478   1.166  19.112  1.00  0.00           H  
HETATM  138  H   UNK A   4      49.379   2.871  22.089  1.00  0.00           H  
HETATM  139  H   UNK A   4      48.853   1.514  23.029  1.00  0.00           H  
HETATM  140  H   UNK A   4      53.553  -2.019  23.605  1.00  0.00           H  
HETATM  141  H   UNK A   4      52.568  -4.144  25.464  1.00  0.00           H  
HETATM  142  H   UNK A   4      54.172  -4.832  23.586  1.00  0.00           H  
HETATM  143  H   UNK A   4      55.405  -3.825  24.418  1.00  0.00           H  
HETATM  144  H   UNK A   4      54.158  -1.046  25.078  1.00  0.00           H  
HETATM  145  H   UNK A   4      55.864  -0.990  27.317  1.00  0.00           H  
HETATM  146  H   UNK A   4      55.737   1.471  27.035  1.00  0.00           H  
HETATM  147  H   UNK A   4      55.973   0.602  25.481  1.00  0.00           H  
HETATM  148  H   UNK A   4      54.355   1.253  25.909  1.00  0.00           H  
HETATM  149  H   UNK A   4      52.350  -0.416  27.212  1.00  0.00           H  
HETATM  150  H   UNK A   4      51.827   0.589  29.766  1.00  0.00           H  
HETATM  151  H   UNK A   4      49.658  -0.553  29.555  1.00  0.00           H  
HETATM  152  H   UNK A   4      50.144   0.305  28.054  1.00  0.00           H  
HETATM  153  H   UNK A   4      50.338  -1.076  25.891  1.00  0.00           H  
HETATM  154  H   UNK A   4      49.929  -3.520  25.237  1.00  0.00           H  
HETATM  155  H   UNK A   4      49.653  -3.117  30.548  1.00  0.00           H  
HETATM  156  H   UNK A   4      49.507  -6.046  26.521  1.00  0.00           H  
HETATM  157  H   UNK A   4      49.266  -5.550  30.792  1.00  0.00           H  
HETATM  158  H   UNK A   4      49.228  -7.028  28.798  1.00  0.00           H  
HETATM  159  H   UNK A   4      52.989  -2.685  29.009  1.00  0.00           H  
HETATM  160  H   UNK A   4      52.373  -3.743  31.682  1.00  0.00           H  
HETATM  161  H   UNK A   4      52.330  -5.044  29.461  1.00  0.00           H  
HETATM  162  H   UNK A   4      54.124  -5.030  29.554  1.00  0.00           H  
HETATM  163  H   UNK A   4      53.918  -6.088  31.862  1.00  0.00           H  
HETATM  164  H   UNK A   4      52.160  -6.276  31.545  1.00  0.00           H  
HETATM  165  H   UNK A   4      52.736  -7.582  29.468  1.00  0.00           H  
HETATM  166  H   UNK A   4      54.466  -7.495  29.945  1.00  0.00           H  
HETATM  167  H   UNK A   4      52.534  -8.646  31.864  1.00  0.00           H  
HETATM  168  H   UNK A   4      55.495 -10.878  30.437  1.00  0.00           H  
HETATM  169  H   UNK A   4      55.364  -9.249  29.863  1.00  0.00           H  
HETATM  170  H   UNK A   4      54.059 -11.708  31.818  1.00  0.00           H  
HETATM  171  H   UNK A   4      52.720 -10.779  32.406  1.00  0.00           H  
HETATM  172  H   UNK A   4      55.063  -2.105  30.168  1.00  0.00           H  
HETATM  173  H   UNK A   4      57.018  -3.266  32.105  1.00  0.00           H  
HETATM  174  H   UNK A   4      57.455  -2.274  29.264  1.00  0.00           H  
HETATM  175  H   UNK A   4      58.694  -2.985  30.353  1.00  0.00           H  
HETATM  176  H   UNK A   4      58.842  -0.224  32.664  1.00  0.00           H  
HETATM  177  H   UNK A   4      58.973  -1.949  32.576  1.00  0.00           H  
CONECT    1    2   94   95                                            
CONECT    2    1    3   96   97                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    6   98    3                                            
CONECT    6   12    7    5   99                                       
CONECT    7    8    6  100  101                                       
CONECT    8   11    7    9  102                                       
CONECT    9    8   10  103  104                                       
CONECT   10    9   56                                                 
CONECT   11    8   92                                                 
CONECT   12   13   13    6   14                                       
CONECT   13   12   12                                                 
CONECT   14   15  105   12                                            
CONECT   15   14   16   18  106                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16                                                 
CONECT   18   15  107  108  109                                       
CONECT   19   20  110   16                                            
CONECT   20   19   21   23  111                                       
CONECT   21   20   22   22   25                                       
CONECT   22   21   21                                                 
CONECT   23   20   24  112  113                                       
CONECT   24   23  114                                                 
CONECT   25   26  115   21                                            
CONECT   26   25   27   29  116                                       
CONECT   27   26   28   28   33                                       
CONECT   28   27   27                                                 
CONECT   29   26   30  117  118                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30  119                                                 
CONECT   33   34   39   27                                            
CONECT   34   33   35   37  120                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35                                                 
CONECT   37   34   38  121  122                                       
CONECT   38   37   39  123  124                                       
CONECT   39   33   38  125  126                                       
CONECT   40   41  127   35                                            
CONECT   41   40   42   44  128                                       
CONECT   42   41   43   43   51                                       
CONECT   43   42   42                                                 
CONECT   44   41   45  129  130                                       
CONECT   45   44   46  131  132                                       
CONECT   46   45   47  133  134                                       
CONECT   47   46   48  135                                            
CONECT   48   47   49   50   50                                       
CONECT   49   48  136  137                                            
CONECT   50   48   48  138  139                                       
CONECT   51   52  140   42                                            
CONECT   52   51   53   55  141                                       
CONECT   53   52   54   54   57                                       
CONECT   54   53   53                                                 
CONECT   55   52   56  142  143                                       
CONECT   56   55   10                                                 
CONECT   57   58  144   53                                            
CONECT   58   57   59   61  145                                       
CONECT   59   58   60   60   62                                       
CONECT   60   59   59                                                 
CONECT   61   58  146  147  148                                       
CONECT   62   63  149   59                                            
CONECT   63   62   64   66  150                                       
CONECT   64   63   65   65   76                                       
CONECT   65   64   64                                                 
CONECT   66   63   67  151  152                                       
CONECT   67   66   68   68   69                                       
CONECT   68   67   67   70  153                                       
CONECT   69   67   71   71   72                                       
CONECT   70   68   71  154                                            
CONECT   71   69   69   70   73                                       
CONECT   72   69   74   74  155                                       
CONECT   73   71   75   75  156                                       
CONECT   74   72   72   75  157                                       
CONECT   75   73   73   74  158                                       
CONECT   76   77  159   64                                            
CONECT   77   76   78   80  160                                       
CONECT   78   77   79   79   87                                       
CONECT   79   78   78                                                 
CONECT   80   77   81  161  162                                       
CONECT   81   80   82  163  164                                       
CONECT   82   81   83  165  166                                       
CONECT   83   82   84  167                                            
CONECT   84   83   85   86   86                                       
CONECT   85   84  168  169                                            
CONECT   86   84   84  170  171                                       
CONECT   87   88  172   78                                            
CONECT   88   87   89   91  173                                       
CONECT   89   88   90   90   93                                       
CONECT   90   89   89                                                 
CONECT   91   88   92  174  175                                       
CONECT   92   91   11                                                 
CONECT   93  176  177   89                                            
CONECT   94    1                                                      
CONECT   95    1                                                      
CONECT   96    2                                                      
CONECT   97    2                                                      
CONECT   98    5                                                      
CONECT   99    6                                                      
CONECT  100    7                                                      
CONECT  101    7                                                      
CONECT  102    8                                                      
CONECT  103    9                                                      
CONECT  104    9                                                      
CONECT  105   14                                                      
CONECT  106   15                                                      
CONECT  107   18                                                      
CONECT  108   18                                                      
CONECT  109   18                                                      
CONECT  110   19                                                      
CONECT  111   20                                                      
CONECT  112   23                                                      
CONECT  113   23                                                      
CONECT  114   24                                                      
CONECT  115   25                                                      
CONECT  116   26                                                      
CONECT  117   29                                                      
CONECT  118   29                                                      
CONECT  119   32                                                      
CONECT  120   34                                                      
CONECT  121   37                                                      
CONECT  122   37                                                      
CONECT  123   38                                                      
CONECT  124   38                                                      
CONECT  125   39                                                      
CONECT  126   39                                                      
CONECT  127   40                                                      
CONECT  128   41                                                      
CONECT  129   44                                                      
CONECT  130   44                                                      
CONECT  131   45                                                      
CONECT  132   45                                                      
CONECT  133   46                                                      
CONECT  134   46                                                      
CONECT  135   47                                                      
CONECT  136   49                                                      
CONECT  137   49                                                      
CONECT  138   50                                                      
CONECT  139   50                                                      
CONECT  140   51                                                      
CONECT  141   52                                                      
CONECT  142   55                                                      
CONECT  143   55                                                      
CONECT  144   57                                                      
CONECT  145   58                                                      
CONECT  146   61                                                      
CONECT  147   61                                                      
CONECT  148   61                                                      
CONECT  149   62                                                      
CONECT  150   63                                                      
CONECT  151   66                                                      
CONECT  152   66                                                      
CONECT  153   68                                                      
CONECT  154   70                                                      
CONECT  155   72                                                      
CONECT  156   73                                                      
CONECT  157   74                                                      
CONECT  158   75                                                      
CONECT  159   76                                                      
CONECT  160   77                                                      
CONECT  161   80                                                      
CONECT  162   80                                                      
CONECT  163   81                                                      
CONECT  164   81                                                      
CONECT  165   82                                                      
CONECT  166   82                                                      
CONECT  167   83                                                      
CONECT  168   85                                                      
CONECT  169   85                                                      
CONECT  170   86                                                      
CONECT  171   86                                                      
CONECT  172   87                                                      
CONECT  173   88                                                      
CONECT  174   91                                                      
CONECT  175   91                                                      
CONECT  176   93                                                      
CONECT  177   93                                                      
MASTER        0    0    0    0    0    0    0    0  177    0  177    0
END
