COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   5     -70.575 -36.452  19.498  1.00  0.00           N  
HETATM    2  C   UNK A   1     -70.057 -37.631  18.744  1.00  0.00           C  
HETATM    3  C   UNK A   1     -70.162 -38.742  19.787  1.00  0.00           C  
HETATM    4  O   UNK A   1     -71.525 -39.233  19.696  1.00  0.00           O  
HETATM    5  O   UNK A   1       0.000   0.000   0.000  1.00  0.00           O  
HETATM    6  C   UNK A   1     -68.681 -37.706  18.055  1.00  0.00           C  
HETATM    7  N   UNK A   1     -68.338 -38.819  17.370  1.00  0.00           N  
HETATM    8  C   UNK A   1     -66.941 -39.290  17.375  1.00  0.00           C  
HETATM    9  C   UNK A   1     -66.745 -40.816  17.684  1.00  0.00           C  
HETATM   10  O   UNK A   1     -66.901 -41.099  18.876  1.00  0.00           O  
HETATM   11  C   UNK A   1     -66.056 -38.300  18.133  1.00  0.00           C  
HETATM   12  C   UNK A   1     -66.428 -36.886  17.689  1.00  0.00           C  
HETATM   13  N   UNK A   1     -67.828 -36.767  18.086  1.00  0.00           N  
HETATM   14  N   UNK A   2     -66.000 -41.821  17.326  1.00  0.00           N  
HETATM   15  C   UNK A   2     -64.898 -42.576  18.088  1.00  0.00           C  
HETATM   16  C   UNK A   2     -63.952 -41.575  18.768  1.00  0.00           C  
HETATM   17  C   UNK A   2     -63.462 -40.515  17.778  1.00  0.00           C  
HETATM   18  C   UNK A   2     -62.098 -39.897  18.082  1.00  0.00           C  
HETATM   19  N   UNK A   2     -62.211 -38.822  19.085  1.00  0.00           N  
HETATM   20  O   UNK A   5     -63.203 -38.104  19.170  1.00  0.00           O  
HETATM   21  C   UNK A   2     -61.246 -38.635  19.884  1.00  0.00           C  
HETATM   22  O   UNK A   5     -61.278 -37.767  20.747  1.00  0.00           O  
HETATM   23  C   UNK A   2     -65.479 -43.690  18.974  1.00  0.00           C  
HETATM   24  O   UNK A   2     -66.686 -43.907  18.919  1.00  0.00           O  
ATOM     25  N   GLN A   3     -64.687 -44.426  19.773  1.00  0.00           N  
ATOM     26  CA  GLN A   3     -65.284 -45.446  20.699  1.00  0.00           C  
ATOM     27  C   GLN A   3     -65.798 -44.906  22.038  1.00  0.00           C  
ATOM     28  O   GLN A   3     -65.792 -45.617  23.060  1.00  0.00           O  
ATOM     29  CB  GLN A   3     -64.376 -46.650  20.972  1.00  0.00           C  
ATOM     30  CG  GLN A   3     -64.242 -46.931  22.481  1.00  0.00           C  
ATOM     31  CD  GLN A   3     -64.561 -48.360  22.917  1.00  0.00           C  
ATOM     32  OE1 GLN A   3     -63.761 -49.286  22.727  1.00  0.00           O  
ATOM     33  NE2 GLN A   3     -65.710 -48.530  23.563  1.00  0.00           N  
ATOM     34  N   GLN A   4     -66.196 -43.635  22.031  1.00  0.00           N  
ATOM     35  CA  GLN A   4     -67.017 -43.069  23.099  1.00  0.00           C  
ATOM     36  C   GLN A   4     -66.294 -42.943  24.459  1.00  0.00           C  
ATOM     37  O   GLN A   4     -66.953 -42.831  25.504  1.00  0.00           O  
ATOM     38  CB  GLN A   4     -67.676 -41.752  22.617  1.00  0.00           C  
ATOM     39  CG  GLN A   4     -68.415 -41.917  21.241  1.00  0.00           C  
ATOM     40  CD  GLN A   4     -69.932 -41.738  21.309  1.00  0.00           C  
ATOM     41  OE1 GLN A   4     -70.407 -40.666  21.650  1.00  0.00           O  
ATOM     42  NE2 GLN A   4     -70.686 -42.784  20.975  1.00  0.00           N  
HETATM   43  N   UNK A   5     -64.952 -42.995  24.432  1.00  0.00           N  
HETATM   44  C   UNK A   5     -64.080 -42.732  25.615  1.00  0.00           C  
HETATM   45  C   UNK A   5     -63.852 -41.215  25.809  1.00  0.00           C  
HETATM   46  C   UNK A   5     -63.926 -40.378  24.535  1.00  0.00           C  
HETATM   47  C   UNK A   5     -62.761 -39.406  24.549  1.00  0.00           C  
HETATM   48  N   UNK A   5     -62.915 -38.460  23.447  1.00  0.00           N  
HETATM   49  O   UNK A   5     -63.328 -38.878  22.392  1.00  0.00           O  
HETATM   50  C   UNK A   5     -62.606 -37.237  23.617  1.00  0.00           C  
HETATM   51  O   UNK A   5     -62.694 -36.378  22.761  1.00  0.00           O  
HETATM   52  C   UNK A   5     -64.492 -43.442  26.903  1.00  0.00           C  
HETATM   53  O   UNK A   5     -64.907 -42.801  27.872  1.00  0.00           O  
ATOM     54  N   GLY A   6     -64.356 -44.775  26.903  1.00  0.00           N  
ATOM     55  CA  GLY A   6     -64.765 -45.654  28.013  1.00  0.00           C  
ATOM     56  C   GLY A   6     -65.431 -46.914  27.476  1.00  0.00           C  
ATOM     57  O   GLY A   6     -66.577 -46.892  27.013  1.00  0.00           O  
ATOM     58  OXT GLY A   6     -64.844 -47.996  27.472  1.00  0.00           O  
HETATM   59  O   UNK A   5     -68.322 -28.779  22.277  1.00  0.00           O  
HETATM   60  C   UNK A   5     -68.557 -27.579  21.944  1.00  0.00           C  
HETATM   61  O   UNK A   5     -68.743 -26.620  22.751  1.00  0.00           O  
HETATM   62  C   UNK A   5     -68.590 -27.231  20.468  1.00  0.00           C  
HETATM   63  C   UNK A   5     -69.456 -28.147  19.588  1.00  0.00           C  
HETATM   64  C   UNK A   5     -68.668 -29.286  19.367  1.00  0.00           C  
HETATM   65  O   UNK A   5     -68.413 -29.688  18.236  1.00  0.00           O  
HETATM   66  N   UNK A   5     -68.535 -30.005  20.479  1.00  0.00           N  
HETATM   67  C   UNK A   5     -68.108 -31.372  20.584  1.00  0.00           C  
HETATM   68  C   UNK A   5     -66.748 -31.757  20.526  1.00  0.00           C  
HETATM   69  C   UNK A   5     -66.382 -33.109  20.679  1.00  0.00           C  
HETATM   70  C   UNK A   5     -65.040 -33.532  20.640  1.00  0.00           C  
HETATM   71  C   UNK A   5     -64.691 -34.897  20.796  1.00  0.00           C  
HETATM   72  O   UNK A   5     -63.405 -35.350  20.748  1.00  0.00           O  
HETATM   73  C   UNK A   5     -65.674 -35.849  21.009  1.00  0.00           C  
HETATM   74  O   UNK A   5     -65.285 -37.162  21.169  1.00  0.00           O  
HETATM   75  C   UNK A   5     -67.012 -35.434  21.056  1.00  0.00           C  
HETATM   76  C   UNK A   5     -67.376 -34.076  20.901  1.00  0.00           C  
HETATM   77  N   UNK A   5     -68.683 -33.697  20.971  1.00  0.00           N1+
HETATM   78  C   UNK A   5     -69.694 -34.746  21.164  1.00  0.00           C  
HETATM   79  C   UNK A   5     -70.035 -35.331  19.785  1.00  0.00           C  
HETATM   80  O   UNK A   5     -69.780 -34.635  18.804  1.00  0.00           O  
HETATM   81  C   UNK A   5     -69.057 -32.392  20.820  1.00  0.00           C  
HETATM   82  N   UNK A   5     -70.368 -32.033  20.876  1.00  0.00           N  
HETATM   83  C   UNK A   5     -71.415 -32.804  21.498  1.00  0.00           C  
HETATM   84  C   UNK A   5     -70.864 -34.158  21.942  1.00  0.00           C  
HETATM   85 FE   UNK A   5     -63.246 -37.366  21.067  1.00  0.00          Fe3+
HETATM   86  H   UNK A   1     -71.509 -36.558  19.838  1.00  0.00           H  
HETATM   87  H   UNK A   1     -70.802 -37.863  17.968  1.00  0.00           H  
HETATM   88  H   UNK A   1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   89  H   UNK A   1     -68.245 -38.134  18.970  1.00  0.00           H  
HETATM   90  H   UNK A   1     -68.584 -38.656  16.414  1.00  0.00           H  
HETATM   91  H   UNK A   1     -66.613 -39.193  16.329  1.00  0.00           H  
HETATM   92  H   UNK A   1     -66.222 -38.406  19.215  1.00  0.00           H  
HETATM   93  H   UNK A   1     -64.998 -38.496  17.904  1.00  0.00           H  
HETATM   94  H   UNK A   1     -65.808 -36.136  18.202  1.00  0.00           H  
HETATM   95  H   UNK A   1     -66.316 -36.772  16.601  1.00  0.00           H  
HETATM   96  H   UNK A   1     -67.809 -36.457  19.037  1.00  0.00           H  
HETATM   97  H   UNK A   2     -66.173 -42.159  16.401  1.00  0.00           H  
HETATM   98  H   UNK A   2     -64.297 -43.085  17.320  1.00  0.00           H  
HETATM   99  H   UNK A   2     -64.487 -41.078  19.590  1.00  0.00           H  
HETATM  100  H   UNK A   2     -63.084 -42.118  19.171  1.00  0.00           H  
HETATM  101  H   UNK A   2     -63.406 -40.983  16.784  1.00  0.00           H  
HETATM  102  H   UNK A   2     -64.203 -39.703  17.760  1.00  0.00           H  
HETATM  103  H   UNK A   2     -61.428 -40.679  18.468  1.00  0.00           H  
HETATM  104  H   UNK A   2     -61.678 -39.480  17.155  1.00  0.00           H  
HETATM  105  H   UNK A   2     -60.369 -39.260  19.802  1.00  0.00           H  
ATOM    106  H   GLN A   3     -63.696 -44.293  19.750  1.00  0.00           H  
ATOM    107  HA  GLN A   3     -66.167 -45.849  20.181  1.00  0.00           H  
ATOM    108  HB1 GLN A   3     -64.802 -47.537  20.480  1.00  0.00           H  
ATOM    109  HB2 GLN A   3     -63.378 -46.445  20.557  1.00  0.00           H  
ATOM    110  HG1 GLN A   3     -63.205 -46.711  22.776  1.00  0.00           H  
ATOM    111  HG2 GLN A   3     -64.926 -46.254  23.013  1.00  0.00           H  
ATOM    112 HE21 GLN A   3     -65.956 -49.432  23.917  1.00  0.00           H  
ATOM    113 HE22 GLN A   3     -66.328 -47.756  23.695  1.00  0.00           H  
ATOM    114  H   GLN A   4     -65.924 -43.048  21.269  1.00  0.00           H  
ATOM    115  HA  GLN A   4     -67.846 -43.772  23.266  1.00  0.00           H  
ATOM    116  HB1 GLN A   4     -68.406 -41.426  23.372  1.00  0.00           H  
ATOM    117  HB2 GLN A   4     -66.894 -40.986  22.508  1.00  0.00           H  
ATOM    118  HG1 GLN A   4     -68.012 -41.168  20.543  1.00  0.00           H  
ATOM    119  HG2 GLN A   4     -68.205 -42.926  20.858  1.00  0.00           H  
ATOM    120 HE21 GLN A   4     -71.683 -42.709  20.998  1.00  0.00           H  
ATOM    121 HE22 GLN A   4     -70.255 -43.644  20.701  1.00  0.00           H  
HETATM  122  H   UNK A   5     -64.509 -43.224  23.565  1.00  0.00           H  
HETATM  123  H   UNK A   5     -63.093 -43.143  25.357  1.00  0.00           H  
HETATM  124  H   UNK A   5     -64.617 -40.842  26.506  1.00  0.00           H  
HETATM  125  H   UNK A   5     -62.854 -41.075  26.251  1.00  0.00           H  
HETATM  126  H   UNK A   5     -63.857 -41.032  23.653  1.00  0.00           H  
HETATM  127  H   UNK A   5     -64.876 -39.823  24.507  1.00  0.00           H  
HETATM  128  H   UNK A   5     -62.748 -38.860  25.504  1.00  0.00           H  
HETATM  129  H   UNK A   5     -61.818 -39.960  24.430  1.00  0.00           H  
HETATM  130  H   UNK A   5     -62.240 -36.942  24.589  1.00  0.00           H  
ATOM    131  H   GLY A   6     -63.950 -45.202  26.095  1.00  0.00           H  
ATOM    132  HA1 GLY A   6     -63.877 -45.935  28.599  1.00  0.00           H  
ATOM    133  HA2 GLY A   6     -65.475 -45.116  28.659  1.00  0.00           H  
ATOM    134  HXT GLY A   6     -65.407 -48.661  27.093  1.00  0.00           H  
HETATM  135  H   UNK A   5     -68.679 -26.940  23.643  1.00  0.00           H  
HETATM  136  H   UNK A   5     -68.976 -26.205  20.371  1.00  0.00           H  
HETATM  137  H   UNK A   5     -67.559 -27.273  20.087  1.00  0.00           H  
HETATM  138  H   UNK A   5     -70.387 -28.416  20.108  1.00  0.00           H  
HETATM  139  H   UNK A   5     -69.698 -27.653  18.635  1.00  0.00           H  
HETATM  140  H   UNK A   5     -68.757 -29.542  21.337  1.00  0.00           H  
HETATM  141  H   UNK A   5     -65.985 -31.010  20.363  1.00  0.00           H  
HETATM  142  H   UNK A   5     -64.260 -32.801  20.488  1.00  0.00           H  
HETATM  143  H   UNK A   5     -67.786 -36.171  21.215  1.00  0.00           H  
HETATM  144  H   UNK A   5     -69.254 -35.551  21.771  1.00  0.00           H  
HETATM  145  H   UNK A   5     -71.691 -34.882  21.885  1.00  0.00           H  
HETATM  146  H   UNK A   5     -70.540 -34.052  22.988  1.00  0.00           H  
HETATM  147  H   UNK A   5     -70.626 -31.165  20.452  1.00  0.00           H  
HETATM  148  H   UNK A   5     -71.798 -32.260  22.374  1.00  0.00           H  
HETATM  149  H   UNK A   5     -72.231 -32.960  20.777  1.00  0.00           H  
CONECT    1    2   86   79                                            
CONECT    2    1    3    6   87                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   88                                                 
CONECT    6    2   89    7   13                                       
CONECT    7    8   90    6                                            
CONECT    8    7    9   11   91                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   92   93                                       
CONECT   12   11   13   94   95                                       
CONECT   13   12   96    6                                            
CONECT   14   15   97    9                                            
CONECT   15   14   16   23   98                                       
CONECT   16   15   17   99  100                                       
CONECT   17   16   18  101  102                                       
CONECT   18   17   19  103  104                                       
CONECT   19   18   20   21                                            
CONECT   20   19   85                                                 
CONECT   21   19   22   22  105                                       
CONECT   22   21   21   85                                            
CONECT   23   15   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   26  106   23                                            
CONECT   26   25   27   29  107                                       
CONECT   27   26   28   28   34                                       
CONECT   28   27   27                                                 
CONECT   29   26   30  108  109                                       
CONECT   30   29   31  110  111                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31  112  113                                            
CONECT   34   35  114   27                                            
CONECT   35   34   36   38  115                                       
CONECT   36   35   37   37   43                                       
CONECT   37   36   36                                                 
CONECT   38   35   39  116  117                                       
CONECT   39   38   40  118  119                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40  120  121                                            
CONECT   43   44  122   36                                            
CONECT   44   43   45   52  123                                       
CONECT   45   44   46  124  125                                       
CONECT   46   45   47  126  127                                       
CONECT   47   46   48  128  129                                       
CONECT   48   47   49   50                                            
CONECT   49   48   85                                                 
CONECT   50   48   51   51  130                                       
CONECT   51   50   50   85                                            
CONECT   52   44   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   55  131   52                                            
CONECT   55   54   56  132  133                                       
CONECT   56   55   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56  134                                                 
CONECT   59   60   60                                                 
CONECT   60   59   59   61   62                                       
CONECT   61   60  135                                                 
CONECT   62   60   63  136  137                                       
CONECT   63   62   64  138  139                                       
CONECT   64   63   65   65   66                                       
CONECT   65   64   64                                                 
CONECT   66   64   67  140                                            
CONECT   67   66   68   68   81                                       
CONECT   68   67   67   69  141                                       
CONECT   69   68   70   76   76                                       
CONECT   70   69   71   71  142                                       
CONECT   71   70   70   72   73                                       
CONECT   72   71   85                                                 
CONECT   73   71   74   75   75                                       
CONECT   74   73   85                                                 
CONECT   75   73   73   76  143                                       
CONECT   76   69   69   75   77                                       
CONECT   77   76   78   81   81                                       
CONECT   78   77   79   84  144                                       
CONECT   79   78   80   80    1                                       
CONECT   80   79   79                                                 
CONECT   81   67   77   77   82                                       
CONECT   82   81   83  147                                            
CONECT   83   82   84  148  149                                       
CONECT   84   78   83  145  146                                       
CONECT   85   49   51   22   20                                       
CONECT   85   72   74                                                 
CONECT   86    1                                                      
CONECT   87    2                                                      
CONECT   88    5                                                      
CONECT   89    6                                                      
CONECT   90    7                                                      
CONECT   91    8                                                      
CONECT   92   11                                                      
CONECT   93   11                                                      
CONECT   94   12                                                      
CONECT   95   12                                                      
CONECT   96   13                                                      
CONECT   97   14                                                      
CONECT   98   15                                                      
CONECT   99   16                                                      
CONECT  100   16                                                      
CONECT  101   17                                                      
CONECT  102   17                                                      
CONECT  103   18                                                      
CONECT  104   18                                                      
CONECT  105   21                                                      
CONECT  106   25                                                      
CONECT  107   26                                                      
CONECT  108   29                                                      
CONECT  109   29                                                      
CONECT  110   30                                                      
CONECT  111   30                                                      
CONECT  112   33                                                      
CONECT  113   33                                                      
CONECT  114   34                                                      
CONECT  115   35                                                      
CONECT  116   38                                                      
CONECT  117   38                                                      
CONECT  118   39                                                      
CONECT  119   39                                                      
CONECT  120   42                                                      
CONECT  121   42                                                      
CONECT  122   43                                                      
CONECT  123   44                                                      
CONECT  124   45                                                      
CONECT  125   45                                                      
CONECT  126   46                                                      
CONECT  127   46                                                      
CONECT  128   47                                                      
CONECT  129   47                                                      
CONECT  130   50                                                      
CONECT  131   54                                                      
CONECT  132   55                                                      
CONECT  133   55                                                      
CONECT  134   58                                                      
CONECT  135   61                                                      
CONECT  136   62                                                      
CONECT  137   62                                                      
CONECT  138   63                                                      
CONECT  139   63                                                      
CONECT  140   66                                                      
CONECT  141   68                                                      
CONECT  142   70                                                      
CONECT  143   75                                                      
CONECT  144   78                                                      
CONECT  145   84                                                      
CONECT  146   84                                                      
CONECT  147   82                                                      
CONECT  148   83                                                      
CONECT  149   83                                                      
MASTER        0    0    0    0    0    0    0    0  149    0  149    0
END
