COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0      11.501   2.294   0.121  1.00  0.00           O  
HETATM    2  C   UNK A   0      11.149   1.372  -0.587  1.00  0.00           C  
HETATM    3  O   UNK A   0      12.016   0.824  -1.459  1.00  0.00           O  
HETATM    4  C   UNK A   0      13.354   1.386  -1.500  1.00  0.00           C  
HETATM    5  C   UNK A   0      14.009   1.243  -0.125  1.00  0.00           C  
HETATM    6  C   UNK A   0      14.189   0.640  -2.543  1.00  0.00           C  
HETATM    7  C   UNK A   0      13.274   2.867  -1.876  1.00  0.00           C  
HETATM    8  N   UNK A   0       9.893   0.893  -0.495  1.00  0.00           N  
HETATM    9  C   UNK A   0       8.951   1.485   0.458  1.00  0.00           C  
HETATM   10  C   UNK A   0       7.899   0.469   0.823  1.00  0.00           C  
HETATM   11  O   UNK A   0       7.709  -0.490   0.106  1.00  0.00           O  
HETATM   12  C   UNK A   0       8.283   2.706  -0.176  1.00  0.00           C  
HETATM   13  C   UNK A   0       9.312   3.785  -0.396  1.00  0.00           C  
HETATM   14  N   UNK A   0       9.991   4.007  -1.531  1.00  0.00           N1+
HETATM   15  C   UNK A   0       9.707   4.698   0.511  1.00  0.00           C  
HETATM   16  C   UNK A   0      10.795   5.020  -1.361  1.00  0.00           C  
HETATM   17  N   UNK A   0      10.650   5.481  -0.100  1.00  0.00           N  
HETATM   18  N   UNK A   0       7.171   0.627   1.946  1.00  0.00           N  
HETATM   19  C   UNK A   0       6.192  -0.335   2.474  1.00  0.00           C  
HETATM   20  C   UNK A   0       5.104  -0.569   1.459  1.00  0.00           C  
HETATM   21  O   UNK A   0       5.083   0.076   0.431  1.00  0.00           O  
HETATM   22  C   UNK A   0       5.591   0.280   3.755  1.00  0.00           C  
HETATM   23  C   UNK A   0       5.851   1.798   3.567  1.00  0.00           C  
HETATM   24  C   UNK A   0       7.227   1.789   2.851  1.00  0.00           C  
HETATM   25  N   UNK A   0       4.153  -1.495   1.691  1.00  0.00           N  
HETATM   26  C   UNK A   0       3.160  -1.802   0.658  1.00  0.00           C  
HETATM   27  C   UNK A   0       1.801  -1.941   1.293  1.00  0.00           C  
HETATM   28  O   UNK A   0       1.673  -1.798   2.491  1.00  0.00           O  
HETATM   29  C   UNK A   0       3.536  -3.113  -0.036  1.00  0.00           C  
HETATM   30  C   UNK A   0       4.848  -2.942  -0.756  1.00  0.00           C  
HETATM   31  C   UNK A   0       6.031  -3.288  -0.130  1.00  0.00           C  
HETATM   32  C   UNK A   0       4.869  -2.444  -2.046  1.00  0.00           C  
HETATM   33  C   UNK A   0       7.235  -3.132  -0.790  1.00  0.00           C  
HETATM   34  C   UNK A   0       6.073  -2.287  -2.706  1.00  0.00           C  
HETATM   35  C   UNK A   0       7.256  -2.629  -2.078  1.00  0.00           C  
HETATM   36  N   UNK A   0       0.726  -2.225   0.530  1.00  0.00           N  
HETATM   37  C   UNK A   0      -0.595  -2.360   1.147  1.00  0.00           C  
HETATM   38  C   UNK A   0      -1.465  -3.237   0.285  1.00  0.00           C  
HETATM   39  O   UNK A   0      -1.024  -3.704  -0.745  1.00  0.00           O  
HETATM   40  C   UNK A   0      -1.239  -0.979   1.282  1.00  0.00           C  
HETATM   41  C   UNK A   0      -1.592  -7.624   0.254  1.00  0.00           C  
HETATM   42  C   UNK A   0      -1.707  -6.098  -1.722  1.00  0.00           C  
HETATM   43  C   UNK A   0      -1.885  -6.194  -0.205  1.00  0.00           C  
HETATM   44  C   UNK A   0      -3.324  -5.825   0.163  1.00  0.00           C  
HETATM   45  C   UNK A   0      -3.579  -4.357  -0.182  1.00  0.00           C  
HETATM   46  C   UNK A   0      -5.050  -4.021   0.069  1.00  0.00           C  
HETATM   47  N   UNK A   0      -2.733  -3.504   0.656  1.00  0.00           N  
HETATM   48  O   UNK A   0      -5.361  -4.248   1.445  1.00  0.00           O  
HETATM   49  C   UNK A   0      -5.305  -2.553  -0.276  1.00  0.00           C  
HETATM   50  C   UNK A   0      -6.803  -2.258  -0.177  1.00  0.00           C  
HETATM   51  C   UNK A   0      -7.247  -2.358   1.283  1.00  0.00           C  
HETATM   52  C   UNK A   0      -6.466  -1.345   2.124  1.00  0.00           C  
HETATM   53  C   UNK A   0      -8.743  -2.057   1.383  1.00  0.00           C  
HETATM   54  C   UNK A   0      -7.076  -0.868  -0.692  1.00  0.00           C  
HETATM   55  O   UNK A   0      -6.156  -0.106  -0.899  1.00  0.00           O  
ATOM     56  N   ILE A   1      -8.344  -0.472  -0.922  1.00  0.00           N  
ATOM     57  CA  ILE A   1      -8.619   0.913  -1.312  1.00  0.00           C  
ATOM     58  C   ILE A   1     -10.000   1.300  -0.849  1.00  0.00           C  
ATOM     59  O   ILE A   1     -10.804   0.441  -0.553  1.00  0.00           O  
ATOM     60  CB  ILE A   1      -8.538   1.040  -2.834  1.00  0.00           C  
ATOM     61  CG1 ILE A   1      -8.732   2.503  -3.235  1.00  0.00           C  
ATOM     62  CG2 ILE A   1      -9.632   0.185  -3.477  1.00  0.00           C  
ATOM     63  CD1 ILE A   1      -7.543   3.330  -2.741  1.00  0.00           C  
ATOM     64  N   HIS A   2     -10.342   2.601  -0.763  1.00  0.00           N  
ATOM     65  CA  HIS A   2     -11.654   2.980  -0.233  1.00  0.00           C  
ATOM     66  C   HIS A   2     -12.675   2.934  -1.341  1.00  0.00           C  
ATOM     67  O   HIS A   2     -12.341   2.618  -2.458  1.00  0.00           O  
ATOM     68  CB  HIS A   2     -11.583   4.398   0.337  1.00  0.00           C  
ATOM     69  CG  HIS A   2     -10.654   4.417   1.523  1.00  0.00           C  
ATOM     70  ND1 HIS A   2      -9.352   4.742   1.500  1.00  0.00           N1+
ATOM     71  CD2 HIS A   2     -10.986   4.117   2.793  1.00  0.00           C  
ATOM     72  CE1 HIS A   2      -8.864   4.649   2.707  1.00  0.00           C  
ATOM     73  NE2 HIS A   2      -9.850   4.262   3.544  1.00  0.00           N  
ATOM     74  OXT HIS A   2     -13.955   3.246  -1.086  1.00  0.00           O  
HETATM   75  H   UNK A   0      14.067   0.188   0.143  1.00  0.00           H  
HETATM   76  H   UNK A   0      15.014   1.666  -0.156  1.00  0.00           H  
HETATM   77  H   UNK A   0      13.415   1.775   0.618  1.00  0.00           H  
HETATM   78  H   UNK A   0      13.722   0.741  -3.522  1.00  0.00           H  
HETATM   79  H   UNK A   0      15.194   1.062  -2.573  1.00  0.00           H  
HETATM   80  H   UNK A   0      14.247  -0.415  -2.275  1.00  0.00           H  
HETATM   81  H   UNK A   0      12.679   3.398  -1.133  1.00  0.00           H  
HETATM   82  H   UNK A   0      14.278   3.289  -1.906  1.00  0.00           H  
HETATM   83  H   UNK A   0      12.807   2.968  -2.856  1.00  0.00           H  
HETATM   84  H   UNK A   0       9.612   0.156  -1.060  1.00  0.00           H  
HETATM   85  H   UNK A   0       9.488   1.791   1.357  1.00  0.00           H  
HETATM   86  H   UNK A   0       7.843   2.423  -1.133  1.00  0.00           H  
HETATM   87  H   UNK A   0       7.502   3.079   0.486  1.00  0.00           H  
HETATM   88  H   UNK A   0       9.899   3.495  -2.350  1.00  0.00           H  
HETATM   89  H   UNK A   0       9.349   4.795   1.525  1.00  0.00           H  
HETATM   90  H   UNK A   0      11.465   5.425  -2.105  1.00  0.00           H  
HETATM   91  H   UNK A   0      11.123   6.228   0.298  1.00  0.00           H  
HETATM   92  H   UNK A   0       6.688  -1.277   2.709  1.00  0.00           H  
HETATM   93  H   UNK A   0       4.522   0.077   3.816  1.00  0.00           H  
HETATM   94  H   UNK A   0       6.107  -0.093   4.641  1.00  0.00           H  
HETATM   95  H   UNK A   0       5.083   2.251   2.940  1.00  0.00           H  
HETATM   96  H   UNK A   0       5.918   2.305   4.530  1.00  0.00           H  
HETATM   97  H   UNK A   0       8.033   1.668   3.574  1.00  0.00           H  
HETATM   98  H   UNK A   0       7.363   2.708   2.280  1.00  0.00           H  
HETATM   99  H   UNK A   0       4.125  -1.959   2.543  1.00  0.00           H  
HETATM  100  H   UNK A   0       3.138  -0.996  -0.075  1.00  0.00           H  
HETATM  101  H   UNK A   0       3.630  -3.904   0.708  1.00  0.00           H  
HETATM  102  H   UNK A   0       2.759  -3.379  -0.753  1.00  0.00           H  
HETATM  103  H   UNK A   0       6.014  -3.681   0.876  1.00  0.00           H  
HETATM  104  H   UNK A   0       3.945  -2.178  -2.537  1.00  0.00           H  
HETATM  105  H   UNK A   0       8.159  -3.401  -0.301  1.00  0.00           H  
HETATM  106  H   UNK A   0       6.090  -1.898  -3.714  1.00  0.00           H  
HETATM  107  H   UNK A   0       8.197  -2.506  -2.594  1.00  0.00           H  
HETATM  108  H   UNK A   0       0.828  -2.339  -0.428  1.00  0.00           H  
HETATM  109  H   UNK A   0      -0.491  -2.810   2.135  1.00  0.00           H  
HETATM  110  H   UNK A   0      -2.222  -1.079   1.742  1.00  0.00           H  
HETATM  111  H   UNK A   0      -0.610  -0.344   1.906  1.00  0.00           H  
HETATM  112  H   UNK A   0      -1.343  -0.528   0.295  1.00  0.00           H  
HETATM  113  H   UNK A   0      -0.567  -7.886  -0.009  1.00  0.00           H  
HETATM  114  H   UNK A   0      -1.719  -7.692   1.334  1.00  0.00           H  
HETATM  115  H   UNK A   0      -2.280  -8.311  -0.237  1.00  0.00           H  
HETATM  116  H   UNK A   0      -0.682  -6.361  -1.984  1.00  0.00           H  
HETATM  117  H   UNK A   0      -2.395  -6.786  -2.213  1.00  0.00           H  
HETATM  118  H   UNK A   0      -1.916  -5.080  -2.049  1.00  0.00           H  
HETATM  119  H   UNK A   0      -1.197  -5.506   0.286  1.00  0.00           H  
HETATM  120  H   UNK A   0      -4.015  -6.456  -0.396  1.00  0.00           H  
HETATM  121  H   UNK A   0      -3.476  -5.979   1.232  1.00  0.00           H  
HETATM  122  H   UNK A   0      -3.341  -4.184  -1.232  1.00  0.00           H  
HETATM  123  H   UNK A   0      -5.679  -4.656  -0.555  1.00  0.00           H  
HETATM  124  H   UNK A   0      -3.085  -3.131   1.480  1.00  0.00           H  
HETATM  125  H   UNK A   0      -4.890  -3.665   2.056  1.00  0.00           H  
HETATM  126  H   UNK A   0      -4.762  -1.916   0.422  1.00  0.00           H  
HETATM  127  H   UNK A   0      -4.962  -2.354  -1.292  1.00  0.00           H  
HETATM  128  H   UNK A   0      -7.356  -2.982  -0.775  1.00  0.00           H  
HETATM  129  H   UNK A   0      -7.053  -3.364   1.654  1.00  0.00           H  
HETATM  130  H   UNK A   0      -6.581  -0.350   1.694  1.00  0.00           H  
HETATM  131  H   UNK A   0      -6.850  -1.347   3.144  1.00  0.00           H  
HETATM  132  H   UNK A   0      -5.410  -1.617   2.132  1.00  0.00           H  
HETATM  133  H   UNK A   0      -9.291  -2.707   0.700  1.00  0.00           H  
HETATM  134  H   UNK A   0      -9.082  -2.234   2.404  1.00  0.00           H  
HETATM  135  H   UNK A   0      -8.923  -1.015   1.117  1.00  0.00           H  
ATOM    136  H   ILE A   1      -9.074  -1.104  -0.829  1.00  0.00           H  
ATOM    137  HA  ILE A   1      -7.883   1.573  -0.852  1.00  0.00           H  
ATOM    138  HB  ILE A   1      -7.561   0.696  -3.176  1.00  0.00           H  
ATOM    139 HG11 ILE A   1      -8.799   2.577  -4.321  1.00  0.00           H  
ATOM    140 HG12 ILE A   1      -9.650   2.884  -2.788  1.00  0.00           H  
ATOM    141 HG21 ILE A   1     -10.603   0.475  -3.073  1.00  0.00           H  
ATOM    142 HG22 ILE A   1      -9.627   0.338  -4.556  1.00  0.00           H  
ATOM    143 HG23 ILE A   1      -9.448  -0.867  -3.258  1.00  0.00           H  
ATOM    144 HD11 ILE A   1      -7.717   4.383  -2.960  1.00  0.00           H  
ATOM    145 HD12 ILE A   1      -7.430   3.196  -1.666  1.00  0.00           H  
ATOM    146 HD13 ILE A   1      -6.635   2.999  -3.246  1.00  0.00           H  
ATOM    147  H   HIS A   2      -9.719   3.286  -1.052  1.00  0.00           H  
ATOM    148  HA  HIS A   2     -11.942   2.286   0.556  1.00  0.00           H  
ATOM    149  HB1 HIS A   2     -11.210   5.080  -0.428  1.00  0.00           H  
ATOM    150  HB2 HIS A   2     -12.578   4.714   0.650  1.00  0.00           H  
ATOM    151  HD1 HIS A   2      -8.853   5.003   0.711  1.00  0.00           H  
ATOM    152  HD2 HIS A   2     -11.960   3.820   3.151  1.00  0.00           H  
ATOM    153  HE1 HIS A   2      -7.842   4.851   2.989  1.00  0.00           H  
ATOM    154  HE2 HIS A   2      -9.770   4.116   4.500  1.00  0.00           H  
ATOM    155  HXT HIS A   2     -14.574   3.202  -1.828  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   75   76   77                                       
CONECT    6    4   78   79   80                                       
CONECT    7    4   81   82   83                                       
CONECT    8    9   84    2                                            
CONECT    9    8   10   12   85                                       
CONECT   10    9   11   11   18                                       
CONECT   11   10   10                                                 
CONECT   12    9   13   86   87                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   16   16   88                                       
CONECT   15   13   13   17   89                                       
CONECT   16   14   14   17   90                                       
CONECT   17   15   16   91                                            
CONECT   18   19   24   10                                            
CONECT   19   18   20   22   92                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   93   94                                       
CONECT   23   22   24   95   96                                       
CONECT   24   18   23   97   98                                       
CONECT   25   26   99   20                                            
CONECT   26   25   27   29  100                                       
CONECT   27   26   28   28   36                                       
CONECT   28   27   27                                                 
CONECT   29   26   30  101  102                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30   33  103                                       
CONECT   32   30   34   34  104                                       
CONECT   33   31   35   35  105                                       
CONECT   34   32   32   35  106                                       
CONECT   35   33   33   34  107                                       
CONECT   36   37  108   27                                            
CONECT   37   36   38   40  109                                       
CONECT   38   37   39   39   47                                       
CONECT   39   38   38                                                 
CONECT   40   37  110  111  112                                       
CONECT   41   43  113  114  115                                       
CONECT   42   43  116  117  118                                       
CONECT   43   41   42   44  119                                       
CONECT   44   43   45  120  121                                       
CONECT   45   44   46   47  122                                       
CONECT   46   45   48   49  123                                       
CONECT   47   45  124   38                                            
CONECT   48   46  125                                                 
CONECT   49   46   50  126  127                                       
CONECT   50   49   51   54  128                                       
CONECT   51   50   52   53  129                                       
CONECT   52   51  130  131  132                                       
CONECT   53   51  133  134  135                                       
CONECT   54   50   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   57  136   54                                            
CONECT   57   56   58   60  137                                       
CONECT   58   57   59   59   64                                       
CONECT   59   58   58                                                 
CONECT   60   57   61   62  138                                       
CONECT   61   60   63  139  140                                       
CONECT   62   60  141  142  143                                       
CONECT   63   61  144  145  146                                       
CONECT   64   65  147   58                                            
CONECT   65   64   66   68  148                                       
CONECT   66   65   67   67   74                                       
CONECT   67   66   66                                                 
CONECT   68   65   69  149  150                                       
CONECT   69   68   70   71   71                                       
CONECT   70   69   72   72  151                                       
CONECT   71   69   69   73  152                                       
CONECT   72   70   70   73  153                                       
CONECT   73   71   72  154                                            
CONECT   74   66  155                                                 
CONECT   75    5                                                      
CONECT   76    5                                                      
CONECT   77    5                                                      
CONECT   78    6                                                      
CONECT   79    6                                                      
CONECT   80    6                                                      
CONECT   81    7                                                      
CONECT   82    7                                                      
CONECT   83    7                                                      
CONECT   84    8                                                      
CONECT   85    9                                                      
CONECT   86   12                                                      
CONECT   87   12                                                      
CONECT   88   14                                                      
CONECT   89   15                                                      
CONECT   90   16                                                      
CONECT   91   17                                                      
CONECT   92   19                                                      
CONECT   93   22                                                      
CONECT   94   22                                                      
CONECT   95   23                                                      
CONECT   96   23                                                      
CONECT   97   24                                                      
CONECT   98   24                                                      
CONECT   99   25                                                      
CONECT  100   26                                                      
CONECT  101   29                                                      
CONECT  102   29                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   36                                                      
CONECT  109   37                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   40                                                      
CONECT  113   41                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   42                                                      
CONECT  117   42                                                      
CONECT  118   42                                                      
CONECT  119   43                                                      
CONECT  120   44                                                      
CONECT  121   44                                                      
CONECT  122   45                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   48                                                      
CONECT  126   49                                                      
CONECT  127   49                                                      
CONECT  128   50                                                      
CONECT  129   51                                                      
CONECT  130   52                                                      
CONECT  131   52                                                      
CONECT  132   52                                                      
CONECT  133   53                                                      
CONECT  134   53                                                      
CONECT  135   53                                                      
CONECT  136   56                                                      
CONECT  137   57                                                      
CONECT  138   60                                                      
CONECT  139   61                                                      
CONECT  140   61                                                      
CONECT  141   62                                                      
CONECT  142   62                                                      
CONECT  143   62                                                      
CONECT  144   63                                                      
CONECT  145   63                                                      
CONECT  146   63                                                      
CONECT  147   64                                                      
CONECT  148   65                                                      
CONECT  149   68                                                      
CONECT  150   68                                                      
CONECT  151   70                                                      
CONECT  152   71                                                      
CONECT  153   72                                                      
CONECT  154   73                                                      
CONECT  155   74                                                      
MASTER        0    0    0    0    0    0    0    0  155    0  155    0
END
