COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  CB  ALA A   1      -7.015  -1.665  -1.065  1.00  0.00           C  
ATOM      2  CA  ALA A   1      -6.451  -1.440   0.339  1.00  0.00           C  
ATOM      3  C   ALA A   1      -6.448  -2.763   1.107  1.00  0.00           C  
ATOM      4  O   ALA A   1      -5.733  -3.747   0.357  1.00  0.00           O  
ATOM      5  N   ALA A   1      -5.082  -0.930   0.240  1.00  0.00           N  
HETATM    6  C   UNK A   0      -4.864   0.391   0.080  1.00  0.00           C  
HETATM    7  O   UNK A   0      -5.805   1.159   0.019  1.00  0.00           O  
HETATM    8  C   UNK A   0      -3.491   0.901  -0.020  1.00  0.00           C  
HETATM    9  S   UNK A   0      -2.017  -0.062   0.040  1.00  0.00           S  
HETATM   10  C   UNK A   0      -1.072   1.350  -0.146  1.00  0.00           C  
HETATM   11  N   UNK A   0      -1.836   2.401  -0.238  1.00  0.00           N  
HETATM   12  C   UNK A   0      -3.127   2.211  -0.182  1.00  0.00           C  
HETATM   13  C   UNK A   0      -4.126   3.335  -0.283  1.00  0.00           C  
HETATM   14  C   UNK A   0       0.406   1.375  -0.195  1.00  0.00           C  
HETATM   15  C   UNK A   0       1.091   2.585  -0.345  1.00  0.00           C  
HETATM   16  C   UNK A   0       2.474   2.558  -0.385  1.00  0.00           C  
HETATM   17  N   UNK A   0       3.103   1.398  -0.282  1.00  0.00           N  
HETATM   18  C   UNK A   0       2.428   0.266  -0.141  1.00  0.00           C  
HETATM   19  N   UNK A   0       3.125  -0.926  -0.036  1.00  0.00           N  
HETATM   20  C   UNK A   0       4.521  -0.916   0.038  1.00  0.00           C  
HETATM   21  C   UNK A   0       5.172   0.063   0.778  1.00  0.00           C  
HETATM   22  C   UNK A   0       6.551   0.070   0.849  1.00  0.00           C  
HETATM   23  C   UNK A   0       7.258   1.132   1.652  1.00  0.00           C  
HETATM   24  C   UNK A   0       7.284  -0.895   0.183  1.00  0.00           C  
HETATM   25  C   UNK A   0       6.639  -1.871  -0.555  1.00  0.00           C  
HETATM   26  C   UNK A   0       7.442  -2.921  -1.279  1.00  0.00           C  
HETATM   27  C   UNK A   0       5.260  -1.887  -0.625  1.00  0.00           C  
HETATM   28  N   UNK A   0       1.105   0.246  -0.091  1.00  0.00           N  
ATOM     29  HB1 ALA A   1      -6.395  -2.390  -1.593  1.00  0.00           H  
ATOM     30  HB2 ALA A   1      -8.034  -2.045  -0.991  1.00  0.00           H  
ATOM     31  HB3 ALA A   1      -7.017  -0.722  -1.612  1.00  0.00           H  
ATOM     32  HA  ALA A   1      -7.071  -0.715   0.867  1.00  0.00           H  
ATOM     33  H1  ALA A   1      -5.966  -2.622   2.074  1.00  0.00           H  
ATOM     34  H2  ALA A   1      -7.475  -3.098   1.258  1.00  0.00           H  
ATOM     35  H   ALA A   1      -5.690  -4.613   0.784  1.00  0.00           H  
ATOM     36  H   ALA A   1      -4.331  -1.543   0.288  1.00  0.00           H  
HETATM   37  H   UNK A   0      -4.337   3.724   0.713  1.00  0.00           H  
HETATM   38  H   UNK A   0      -3.717   4.131  -0.905  1.00  0.00           H  
HETATM   39  H   UNK A   0      -5.048   2.962  -0.730  1.00  0.00           H  
HETATM   40  H   UNK A   0       0.554   3.518  -0.427  1.00  0.00           H  
HETATM   41  H   UNK A   0       3.035   3.474  -0.500  1.00  0.00           H  
HETATM   42  H   UNK A   0       2.644  -1.768  -0.013  1.00  0.00           H  
HETATM   43  H   UNK A   0       4.600   0.817   1.298  1.00  0.00           H  
HETATM   44  H   UNK A   0       7.389   0.784   2.677  1.00  0.00           H  
HETATM   45  H   UNK A   0       8.233   1.333   1.209  1.00  0.00           H  
HETATM   46  H   UNK A   0       6.663   2.045   1.651  1.00  0.00           H  
HETATM   47  H   UNK A   0       8.363  -0.887   0.240  1.00  0.00           H  
HETATM   48  H   UNK A   0       7.596  -3.777  -0.622  1.00  0.00           H  
HETATM   49  H   UNK A   0       6.903  -3.240  -2.171  1.00  0.00           H  
HETATM   50  H   UNK A   0       8.408  -2.506  -1.567  1.00  0.00           H  
HETATM   51  H   UNK A   0       4.757  -2.652  -1.198  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3    5   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3   35                                                 
CONECT    5    2    6   36                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   12   12    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12                                            
CONECT   12    8    8   11   13                                       
CONECT   13   12   37   38   39                                       
CONECT   14   10   28   28   15                                       
CONECT   15   14   16   16   40                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   28   19                                       
CONECT   19   18   20   42                                            
CONECT   20   19   21   21   27                                       
CONECT   21   20   20   22   43                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   44   45   46                                       
CONECT   24   22   22   25   47                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25   48   49   50                                       
CONECT   27   20   25   25   51                                       
CONECT   28   14   14   18                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
