COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       7.931   6.111   0.354  1.00  0.00           N  
HETATM    2  C   UNK A   0       7.104   7.090   0.765  1.00  0.00           C  
HETATM    3  N   UNK A   0       7.258   7.664   1.972  1.00  0.00           N  
HETATM    4  C   UNK A   0       8.249   7.264   2.794  1.00  0.00           C  
HETATM    5  C   UNK A   0       9.125   6.234   2.375  1.00  0.00           C  
HETATM    6  C   UNK A   0       8.949   5.676   1.158  1.00  0.00           C  
HETATM    7  O   UNK A   0       6.206   7.461   0.034  1.00  0.00           O  
HETATM    8  O   UNK A   0       8.388   7.783   3.887  1.00  0.00           O  
HETATM    9  C   UNK A   0       7.736   5.501  -0.963  1.00  0.00           C  
HETATM   10  C   UNK A   0       8.941   5.804  -1.889  1.00  0.00           C  
HETATM   11  O   UNK A   0       8.772   7.057  -2.554  1.00  0.00           O  
HETATM   12  C   UNK A   0       8.878   4.631  -2.898  1.00  0.00           C  
HETATM   13  C   UNK A   0       8.057   3.550  -2.169  1.00  0.00           C  
HETATM   14  O   UNK A   0       7.742   4.061  -0.863  1.00  0.00           O  
HETATM   15  O   UNK A   0       8.218   5.037  -4.097  1.00  0.00           O  
HETATM   16  C   UNK A   0       8.881   2.267  -2.041  1.00  0.00           C  
HETATM   17  O   UNK A   0       8.072   1.236  -1.470  1.00  0.00           O  
HETATM   18  P   UNK A   0       8.618  -0.252  -1.191  1.00  0.00           P  
HETATM   19  O   UNK A   0       9.168  -0.819  -2.443  1.00  0.00           O  
HETATM   20  O   UNK A   0       9.774  -0.199  -0.073  1.00  0.00           O  
HETATM   21  O   UNK A   0       7.408  -1.178  -0.669  1.00  0.00           O  
HETATM   22  P   UNK A   0       7.204  -2.767  -0.512  1.00  0.00           P  
HETATM   23  O   UNK A   0       8.412  -3.362   0.101  1.00  0.00           O  
HETATM   24  O   UNK A   0       6.959  -3.423  -1.962  1.00  0.00           O  
HETATM   25  C   UNK A   0       5.547  -4.367   0.844  1.00  0.00           C  
HETATM   26  C   UNK A   0       4.030  -4.419   1.041  1.00  0.00           C  
HETATM   27  C   UNK A   0       3.634  -3.445   2.155  1.00  0.00           C  
HETATM   28  C   UNK A   0       4.399  -3.808   3.432  1.00  0.00           C  
HETATM   29  C   UNK A   0       5.902  -3.779   3.142  1.00  0.00           C  
HETATM   30  C   UNK A   0       6.672  -4.199   4.396  1.00  0.00           C  
HETATM   31  C   UNK A   0       3.070  -4.973  -1.129  1.00  0.00           C  
HETATM   32  C   UNK A   0       2.382  -4.580  -2.410  1.00  0.00           C  
HETATM   33  C   UNK A   0       1.458  -2.523   1.756  1.00  0.00           C  
HETATM   34  C   UNK A   0       0.102  -3.072   1.395  1.00  0.00           C  
HETATM   35  C   UNK A   0       1.291  -1.336   2.707  1.00  0.00           C  
HETATM   36  O   UNK A   0       5.929  -3.054   0.428  1.00  0.00           O  
HETATM   37  O   UNK A   0       2.229  -3.542   2.397  1.00  0.00           O  
HETATM   38  O   UNK A   0       4.092  -2.862   4.458  1.00  0.00           O  
HETATM   39  O   UNK A   0       6.198  -4.684   2.076  1.00  0.00           O  
HETATM   40  O   UNK A   0       8.075  -4.060   4.163  1.00  0.00           O  
HETATM   41  O   UNK A   0       3.363  -6.133  -0.929  1.00  0.00           O  
HETATM   42  O   UNK A   0      -0.211  -4.192   1.740  1.00  0.00           O  
HETATM   43  N   UNK A   0       3.361  -4.037  -0.204  1.00  0.00           N  
ATOM     44  N   CYS A   1      -0.764  -2.318   0.689  1.00  0.00           N  
ATOM     45  CA  CYS A   1      -2.082  -2.851   0.338  1.00  0.00           C  
ATOM     46  C   CYS A   1      -2.595  -2.152  -0.895  1.00  0.00           C  
ATOM     47  O   CYS A   1      -1.925  -1.292  -1.428  1.00  0.00           O  
ATOM     48  CB  CYS A   1      -3.053  -2.617   1.497  1.00  0.00           C  
HETATM   49  N   UNK A   2      -3.798  -2.481  -1.406  1.00  0.00           N  
HETATM   50  C   UNK A   2      -4.297  -1.801  -2.604  1.00  0.00           C  
HETATM   51  C   UNK A   2      -3.750  -2.483  -3.832  1.00  0.00           C  
HETATM   52  O   UNK A   2      -3.019  -3.438  -3.718  1.00  0.00           O  
HETATM   53  C   UNK A   2      -5.825  -1.861  -2.625  1.00  0.00           C  
HETATM   54  C   UNK A   2      -6.383  -1.063  -1.445  1.00  0.00           C  
HETATM   55  C   UNK A   2      -7.889  -1.121  -1.466  1.00  0.00           C  
HETATM   56  O   UNK A   2      -8.460  -1.740  -2.339  1.00  0.00           O  
HETATM   57  O   UNK A   2      -4.075  -2.028  -5.052  1.00  0.00           O  
HETATM   58  N   UNK A   2      -8.602  -0.486  -0.515  1.00  0.00           N  
ATOM     59  CA  CYS A   1     -10.065  -0.543  -0.535  1.00  0.00           C  
ATOM     60  C   CYS A   1     -10.625   0.662   0.176  1.00  0.00           C  
ATOM     61  O   CYS A   1      -9.875   1.487   0.654  1.00  0.00           O  
ATOM     62  CB  CYS A   1     -10.536  -1.816   0.170  1.00  0.00           C  
ATOM     63  SG  CYS A   1      -9.863  -3.266  -0.687  1.00  0.00           S  
HETATM   64  N   UNK A   2     -11.959   0.823   0.282  1.00  0.00           N  
HETATM   65  C   UNK A   2     -12.503   1.994   0.974  1.00  0.00           C  
HETATM   66  C   UNK A   2     -12.565   1.715   2.477  1.00  0.00           C  
HETATM   67  C   UNK A   2     -13.890   2.282   0.459  1.00  0.00           C  
HETATM   68  O   UNK A   2     -14.376   1.579  -0.401  1.00  0.00           O  
ATOM     69  N   ALA A   3     -14.590   3.322   0.955  1.00  0.00           N  
ATOM     70  CA  ALA A   3     -15.938   3.602   0.454  1.00  0.00           C  
ATOM     71  CB  ALA A   3     -15.845   4.457  -0.811  1.00  0.00           C  
ATOM     72  C   ALA A   3     -16.720   4.345   1.506  1.00  0.00           C  
ATOM     73  O   ALA A   3     -16.204   4.614   2.566  1.00  0.00           O  
ATOM     74  OXT ALA A   3     -17.989   4.710   1.267  1.00  0.00           O  
HETATM   75  H   UNK A   0       6.653   8.369   2.252  1.00  0.00           H  
HETATM   76  H   UNK A   0       9.925   5.901   3.019  1.00  0.00           H  
HETATM   77  H   UNK A   0       9.608   4.890   0.822  1.00  0.00           H  
HETATM   78  H   UNK A   0       6.808   5.853  -1.414  1.00  0.00           H  
HETATM   79  H   UNK A   0       9.876   5.786  -1.329  1.00  0.00           H  
HETATM   80  H   UNK A   0       9.500   7.291  -3.145  1.00  0.00           H  
HETATM   81  H   UNK A   0       9.881   4.263  -3.118  1.00  0.00           H  
HETATM   82  H   UNK A   0       7.137   3.349  -2.720  1.00  0.00           H  
HETATM   83  H   UNK A   0       8.662   5.757  -4.567  1.00  0.00           H  
HETATM   84  H   UNK A   0       9.223   1.956  -3.028  1.00  0.00           H  
HETATM   85  H   UNK A   0       9.742   2.451  -1.399  1.00  0.00           H  
HETATM   86  H   UNK A   0       9.484   0.162   0.776  1.00  0.00           H  
HETATM   87  H   UNK A   0       6.182  -3.079  -2.423  1.00  0.00           H  
HETATM   88  H   UNK A   0       5.840  -5.089   0.082  1.00  0.00           H  
HETATM   89  H   UNK A   0       3.734  -5.431   1.319  1.00  0.00           H  
HETATM   90  H   UNK A   0       3.127  -3.109  -0.364  1.00  0.00           H  
HETATM   91  H   UNK A   0       2.231  -5.465  -3.028  1.00  0.00           H  
HETATM   92  H   UNK A   0       1.417  -4.129  -2.180  1.00  0.00           H  
HETATM   93  H   UNK A   0       3.000  -3.861  -2.949  1.00  0.00           H  
HETATM   94  H   UNK A   0       3.885  -2.428   1.857  1.00  0.00           H  
HETATM   95  H   UNK A   0       1.970  -2.195   0.852  1.00  0.00           H  
HETATM   96  H   UNK A   0       0.853  -1.680   3.644  1.00  0.00           H  
HETATM   97  H   UNK A   0       2.265  -0.889   2.904  1.00  0.00           H  
HETATM   98  H   UNK A   0       0.636  -0.594   2.250  1.00  0.00           H  
HETATM   99  H   UNK A   0       4.110  -4.807   3.758  1.00  0.00           H  
HETATM  100  H   UNK A   0       6.197  -2.770   2.855  1.00  0.00           H  
HETATM  101  H   UNK A   0       6.378  -3.565   5.232  1.00  0.00           H  
HETATM  102  H   UNK A   0       6.443  -5.239   4.631  1.00  0.00           H  
HETATM  103  H   UNK A   0       8.625  -4.310   4.918  1.00  0.00           H  
HETATM  104  H   UNK A   0       4.543  -3.031   5.296  1.00  0.00           H  
ATOM    105  H   CYS A   1      -0.514  -1.422   0.413  1.00  0.00           H  
ATOM    106  HA  CYS A   1      -2.001  -3.920   0.141  1.00  0.00           H  
ATOM    107  HB1 CYS A   1      -4.034  -3.014   1.236  1.00  0.00           H  
ATOM    108  HB2 CYS A   1      -2.682  -3.123   2.389  1.00  0.00           H  
ATOM    109  HB3 CYS A   1      -3.134  -1.548   1.693  1.00  0.00           H  
HETATM  110  H   UNK A   2      -4.334  -3.168  -0.980  1.00  0.00           H  
HETATM  111  H   UNK A   2      -3.974  -0.760  -2.592  1.00  0.00           H  
HETATM  112  H   UNK A   2      -6.193  -1.434  -3.559  1.00  0.00           H  
HETATM  113  H   UNK A   2      -6.150  -2.898  -2.548  1.00  0.00           H  
HETATM  114  H   UNK A   2      -6.016  -1.489  -0.512  1.00  0.00           H  
HETATM  115  H   UNK A   2      -6.059  -0.025  -1.523  1.00  0.00           H  
HETATM  116  H   UNK A   2      -3.700  -2.497  -5.810  1.00  0.00           H  
HETATM  117  H   UNK A   2      -8.145   0.010   0.183  1.00  0.00           H  
ATOM    118  HA  CYS A   1     -10.414  -0.549  -1.568  1.00  0.00           H  
ATOM    119  HB1 CYS A   1     -10.187  -1.809   1.203  1.00  0.00           H  
ATOM    120  HB2 CYS A   1     -11.625  -1.858   0.155  1.00  0.00           H  
ATOM    121  HG  CYS A   1     -10.350  -4.294   0.030  1.00  0.00           H  
HETATM  122  H   UNK A   2     -12.559   0.163  -0.100  1.00  0.00           H  
HETATM  123  H   UNK A   2     -11.861   2.855   0.790  1.00  0.00           H  
HETATM  124  H   UNK A   2     -11.562   1.507   2.849  1.00  0.00           H  
HETATM  125  H   UNK A   2     -12.970   2.587   2.992  1.00  0.00           H  
HETATM  126  H   UNK A   2     -13.207   0.854   2.661  1.00  0.00           H  
ATOM    127  H   ALA A   3     -14.201   3.885   1.643  1.00  0.00           H  
ATOM    128  HA  ALA A   3     -16.442   2.664   0.222  1.00  0.00           H  
ATOM    129  HB1 ALA A   3     -16.848   4.666  -1.183  1.00  0.00           H  
ATOM    130  HB2 ALA A   3     -15.341   5.396  -0.579  1.00  0.00           H  
ATOM    131  HB3 ALA A   3     -15.279   3.920  -1.572  1.00  0.00           H  
ATOM    132  HXT ALA A   3     -18.450   5.185   1.972  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   75                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   76                                       
CONECT    6    1    5    5   77                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9    1   10   14   78                                       
CONECT   10    9   11   12   79                                       
CONECT   11   10   80                                                 
CONECT   12   10   13   15   81                                       
CONECT   13   12   14   16   82                                       
CONECT   14    9   13                                                 
CONECT   15   12   83                                                 
CONECT   16   13   17   84   85                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   86                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   36                                                      
CONECT   23   22   22                                                 
CONECT   24   22   87                                                 
CONECT   25   26   36   39   88                                       
CONECT   26   25   27   43   89                                       
CONECT   27   26   28   37   94                                       
CONECT   28   27   29   38   99                                       
CONECT   29   28   30   39  100                                       
CONECT   30   29   40  101  102                                       
CONECT   31   32   41   41   43                                       
CONECT   32   31   91   92   93                                       
CONECT   33   34   35   37   95                                       
CONECT   34   33   42   42   44                                       
CONECT   35   33   96   97   98                                       
CONECT   36   25   22                                                 
CONECT   37   27   33                                                 
CONECT   38   28  104                                                 
CONECT   39   25   29                                                 
CONECT   40   30  103                                                 
CONECT   41   31   31                                                 
CONECT   42   34   34                                                 
CONECT   43   26   31   90                                            
CONECT   44   45  105   34                                            
CONECT   45   44   46   48  106                                       
CONECT   46   45   47   47   49                                       
CONECT   47   46   46                                                 
CONECT   48   45  107  108  109                                       
CONECT   49   50  110   46                                            
CONECT   50   49   51   53  111                                       
CONECT   51   50   52   52   57                                       
CONECT   52   51   51                                                 
CONECT   53   50   54  112  113                                       
CONECT   54   53   55  114  115                                       
CONECT   55   54   56   56   58                                       
CONECT   56   55   55                                                 
CONECT   57   51  116                                                 
CONECT   58   59  117   55                                            
CONECT   59   58   60   62  118                                       
CONECT   60   59   61   61   64                                       
CONECT   61   60   60                                                 
CONECT   62   59   63  119  120                                       
CONECT   63   62  121                                                 
CONECT   64   65  122   60                                            
CONECT   65   64   66   67  123                                       
CONECT   66   65  124  125  126                                       
CONECT   67   65   68   68   69                                       
CONECT   68   67   67                                                 
CONECT   69   70  127   67                                            
CONECT   70   69   71   72  128                                       
CONECT   71   70  129  130  131                                       
CONECT   72   70   73   73   74                                       
CONECT   73   72   72                                                 
CONECT   74   72  132                                                 
CONECT   75    3                                                      
CONECT   76    5                                                      
CONECT   77    6                                                      
CONECT   78    9                                                      
CONECT   79   10                                                      
CONECT   80   11                                                      
CONECT   81   12                                                      
CONECT   82   13                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   20                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   43                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   27                                                      
CONECT   95   33                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   30                                                      
CONECT  103   40                                                      
CONECT  104   38                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   48                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   54                                                      
CONECT  116   57                                                      
CONECT  117   58                                                      
CONECT  118   59                                                      
CONECT  119   62                                                      
CONECT  120   62                                                      
CONECT  121   63                                                      
CONECT  122   64                                                      
CONECT  123   65                                                      
CONECT  124   66                                                      
CONECT  125   66                                                      
CONECT  126   66                                                      
CONECT  127   69                                                      
CONECT  128   70                                                      
CONECT  129   71                                                      
CONECT  130   71                                                      
CONECT  131   71                                                      
CONECT  132   74                                                      
MASTER        0    0    0    0    0    0    0    0  132    0  132    0
END
