COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0       3.019  -1.435  -1.665  1.00  0.00           O  
HETATM    2  C   UNK A   0       3.047  -1.484  -0.237  1.00  0.00           C  
HETATM    3  C   UNK A   0       1.712  -0.982   0.318  1.00  0.00           C  
HETATM    4  N   UNK A   0       0.620  -1.794  -0.225  1.00  0.00           N  
HETATM    5  C   UNK A   0       0.260  -2.938   0.391  1.00  0.00           C  
HETATM    6  C   UNK A   0      -0.863  -3.773  -0.167  1.00  0.00           C  
HETATM    7  O   UNK A   0       0.840  -3.294   1.395  1.00  0.00           O  
HETATM    8  O   UNK A   0       4.105  -0.655   0.248  1.00  0.00           O  
HETATM    9  C   UNK A   0       3.999   0.715  -0.145  1.00  0.00           C  
HETATM   10  C   UNK A   0       5.194   1.498   0.404  1.00  0.00           C  
HETATM   11  O   UNK A   0       6.395   1.022  -0.206  1.00  0.00           O  
HETATM   12  C   UNK A   0       2.702   1.306   0.413  1.00  0.00           C  
HETATM   13  O   UNK A   0       2.565   2.659  -0.026  1.00  0.00           O  
HETATM   14  C   UNK A   0       1.515   0.481  -0.093  1.00  0.00           C  
HETATM   15  O   UNK A   0       0.305   0.980   0.482  1.00  0.00           O  
HETATM   16  C   UNK A   0      -0.801   1.004  -0.421  1.00  0.00           C  
HETATM   17  C   UNK A   0      -0.816   2.336  -1.174  1.00  0.00           C  
HETATM   18  C   UNK A   0      -2.085   0.850   0.352  1.00  0.00           C  
HETATM   19  O   UNK A   0      -2.063   0.823   1.565  1.00  0.00           O  
ATOM     20  N   ALA A   1      -3.258   0.744  -0.303  1.00  0.00           N  
ATOM     21  CA  ALA A   1      -4.506   0.594   0.449  1.00  0.00           C  
ATOM     22  CB  ALA A   1      -5.026   1.975   0.854  1.00  0.00           C  
ATOM     23  C   ALA A   1      -5.532  -0.096  -0.412  1.00  0.00           C  
ATOM     24  O   ALA A   1      -5.250  -0.429  -1.539  1.00  0.00           O  
ATOM     25  OXT ALA A   1      -6.760  -0.341   0.072  1.00  0.00           O  
HETATM   26  H   UNK A   0       3.835  -1.739  -2.085  1.00  0.00           H  
HETATM   27  H   UNK A   0       3.213  -2.511   0.088  1.00  0.00           H  
HETATM   28  H   UNK A   0       1.717  -1.059   1.405  1.00  0.00           H  
HETATM   29  H   UNK A   0       0.156  -1.509  -1.027  1.00  0.00           H  
HETATM   30  H   UNK A   0      -0.460  -4.496  -0.876  1.00  0.00           H  
HETATM   31  H   UNK A   0      -1.362  -4.301   0.646  1.00  0.00           H  
HETATM   32  H   UNK A   0      -1.579  -3.127  -0.674  1.00  0.00           H  
HETATM   33  H   UNK A   0       3.990   0.782  -1.233  1.00  0.00           H  
HETATM   34  H   UNK A   0       5.068   2.557   0.181  1.00  0.00           H  
HETATM   35  H   UNK A   0       5.254   1.359   1.483  1.00  0.00           H  
HETATM   36  H   UNK A   0       7.195   1.474   0.096  1.00  0.00           H  
HETATM   37  H   UNK A   0       2.728   1.278   1.503  1.00  0.00           H  
HETATM   38  H   UNK A   0       3.286   3.239   0.255  1.00  0.00           H  
HETATM   39  H   UNK A   0       1.459   0.550  -1.179  1.00  0.00           H  
HETATM   40  H   UNK A   0      -0.706   0.185  -1.134  1.00  0.00           H  
HETATM   41  H   UNK A   0       0.145   2.486  -1.666  1.00  0.00           H  
HETATM   42  H   UNK A   0      -1.609   2.322  -1.922  1.00  0.00           H  
HETATM   43  H   UNK A   0      -0.994   3.149  -0.470  1.00  0.00           H  
ATOM     44  H   ALA A   1      -3.276   0.766  -1.272  1.00  0.00           H  
ATOM     45  HA  ALA A   1      -4.323  -0.002   1.344  1.00  0.00           H  
ATOM     46  HB1 ALA A   1      -5.210   2.571  -0.040  1.00  0.00           H  
ATOM     47  HB2 ALA A   1      -5.955   1.864   1.414  1.00  0.00           H  
ATOM     48  HB3 ALA A   1      -4.284   2.474   1.477  1.00  0.00           H  
ATOM     49  HXT ALA A   1      -7.384  -0.786  -0.517  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2    1    3    8   27                                       
CONECT    3    2    4   14   28                                       
CONECT    4    3    5   29                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   30   31   32                                       
CONECT    7    5    5                                                 
CONECT    8    2    9                                                 
CONECT    9    8   10   12   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   36                                                 
CONECT   12    9   13   14   37                                       
CONECT   13   12   38                                                 
CONECT   14    3   12   15   39                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   18   40                                       
CONECT   17   16   41   42   43                                       
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   44                                            
CONECT   21   20   22   23   45                                       
CONECT   22   21   46   47   48                                       
CONECT   23   21   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   49                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
