COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       3.072  -0.186   0.413  1.00  0.00           C  
HETATM    2  O   UNK A   0       2.864  -0.229   1.609  1.00  0.00           O  
HETATM    3  O   UNK A   0       4.199  -0.721  -0.094  1.00  0.00           O  
HETATM    4  C   UNK A   0       5.120  -1.332   0.848  1.00  0.00           C  
HETATM    5  C   UNK A   0       6.314  -1.871   0.104  1.00  0.00           C  
HETATM    6  C   UNK A   0       7.421  -1.069  -0.103  1.00  0.00           C  
HETATM    7  C   UNK A   0       8.516  -1.564  -0.785  1.00  0.00           C  
HETATM    8  C   UNK A   0       8.506  -2.862  -1.260  1.00  0.00           C  
HETATM    9  C   UNK A   0       7.400  -3.665  -1.053  1.00  0.00           C  
HETATM   10  C   UNK A   0       6.306  -3.171  -0.367  1.00  0.00           C  
HETATM   11  N   UNK A   0       2.172   0.391  -0.407  1.00  0.00           N  
HETATM   12  C   UNK A   0       0.942   0.967   0.143  1.00  0.00           C  
HETATM   13  P   UNK A   0      -0.463  -0.135  -0.223  1.00  0.00           P  
HETATM   14  O   UNK A   0      -0.171  -1.493   0.289  1.00  0.00           O  
HETATM   15  O   UNK A   0      -0.693  -0.200  -1.815  1.00  0.00           O  
HETATM   16  C   UNK A   0       0.694   2.338  -0.489  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.791   3.287  -0.079  1.00  0.00           C  
HETATM   18  C   UNK A   0       2.966   3.339  -0.804  1.00  0.00           C  
HETATM   19  C   UNK A   0       1.618   4.109   1.018  1.00  0.00           C  
HETATM   20  C   UNK A   0       3.972   4.209  -0.428  1.00  0.00           C  
HETATM   21  C   UNK A   0       2.624   4.979   1.394  1.00  0.00           C  
HETATM   22  C   UNK A   0       3.802   5.028   0.672  1.00  0.00           C  
HETATM   23  N   UNK A   0      -1.850   0.459   0.521  1.00  0.00           N  
HETATM   24  C   UNK A   0      -2.979  -0.464   0.343  1.00  0.00           C  
HETATM   25  C   UNK A   0      -4.252   0.326   0.174  1.00  0.00           C  
HETATM   26  O   UNK A   0      -4.309   1.474   0.561  1.00  0.00           O  
HETATM   27  C   UNK A   0      -3.099  -1.368   1.571  1.00  0.00           C  
HETATM   28  C   UNK A   0      -4.215  -2.389   1.346  1.00  0.00           C  
HETATM   29  C   UNK A   0      -3.818  -3.338   0.214  1.00  0.00           C  
HETATM   30  C   UNK A   0      -4.439  -3.192   2.630  1.00  0.00           C  
ATOM     31  N   ALA A   1      -5.326  -0.243  -0.407  1.00  0.00           N  
ATOM     32  CA  ALA A   1      -6.523   0.557  -0.678  1.00  0.00           C  
ATOM     33  C   ALA A   1      -7.729  -0.345  -0.734  1.00  0.00           C  
ATOM     34  O   ALA A   1      -7.602  -1.534  -0.564  1.00  0.00           O  
ATOM     35  CB  ALA A   1      -6.362   1.277  -2.019  1.00  0.00           C  
ATOM     36  OXT ALA A   1      -8.944   0.174  -0.971  1.00  0.00           O  
HETATM   37  H   UNK A   0       5.449  -0.585   1.570  1.00  0.00           H  
HETATM   38  H   UNK A   0       4.619  -2.146   1.370  1.00  0.00           H  
HETATM   39  H   UNK A   0       7.429  -0.054   0.269  1.00  0.00           H  
HETATM   40  H   UNK A   0       9.380  -0.936  -0.947  1.00  0.00           H  
HETATM   41  H   UNK A   0       9.361  -3.248  -1.794  1.00  0.00           H  
HETATM   42  H   UNK A   0       7.391  -4.679  -1.425  1.00  0.00           H  
HETATM   43  H   UNK A   0       5.443  -3.799  -0.202  1.00  0.00           H  
HETATM   44  H   UNK A   0       2.338   0.425  -1.362  1.00  0.00           H  
HETATM   45  H   UNK A   0       1.045   1.078   1.223  1.00  0.00           H  
HETATM   46  H   UNK A   0      -0.890   0.657  -2.219  1.00  0.00           H  
HETATM   47  H   UNK A   0       0.684   2.241  -1.575  1.00  0.00           H  
HETATM   48  H   UNK A   0      -0.267   2.725  -0.151  1.00  0.00           H  
HETATM   49  H   UNK A   0       3.099   2.699  -1.664  1.00  0.00           H  
HETATM   50  H   UNK A   0       0.698   4.072   1.582  1.00  0.00           H  
HETATM   51  H   UNK A   0       4.891   4.249  -0.995  1.00  0.00           H  
HETATM   52  H   UNK A   0       2.490   5.622   2.252  1.00  0.00           H  
HETATM   53  H   UNK A   0       4.588   5.707   0.966  1.00  0.00           H  
HETATM   54  H   UNK A   0      -2.078   1.380   0.179  1.00  0.00           H  
HETATM   55  H   UNK A   0      -2.812  -1.076  -0.544  1.00  0.00           H  
HETATM   56  H   UNK A   0      -2.156  -1.890   1.732  1.00  0.00           H  
HETATM   57  H   UNK A   0      -3.333  -0.761   2.447  1.00  0.00           H  
HETATM   58  H   UNK A   0      -5.135  -1.870   1.078  1.00  0.00           H  
HETATM   59  H   UNK A   0      -4.640  -4.024   0.009  1.00  0.00           H  
HETATM   60  H   UNK A   0      -3.594  -2.760  -0.683  1.00  0.00           H  
HETATM   61  H   UNK A   0      -2.936  -3.907   0.510  1.00  0.00           H  
HETATM   62  H   UNK A   0      -4.722  -2.516   3.436  1.00  0.00           H  
HETATM   63  H   UNK A   0      -5.234  -3.920   2.470  1.00  0.00           H  
HETATM   64  H   UNK A   0      -3.519  -3.712   2.898  1.00  0.00           H  
ATOM     65  H   ALA A   1      -5.307  -1.183  -0.646  1.00  0.00           H  
ATOM     66  HA  ALA A   1      -6.655   1.293   0.115  1.00  0.00           H  
ATOM     67  HB1 ALA A   1      -5.490   1.929  -1.979  1.00  0.00           H  
ATOM     68  HB2 ALA A   1      -6.230   0.542  -2.812  1.00  0.00           H  
ATOM     69  HB3 ALA A   1      -7.252   1.873  -2.220  1.00  0.00           H  
ATOM     70  HXT ALA A   1      -9.687  -0.444  -0.997  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   37   38                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8    8   40                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10   42                                       
CONECT   10    5    9    9   43                                       
CONECT   11   12   44    1                                            
CONECT   12   11   13   16   45                                       
CONECT   13   12   14   14   15                                       
CONECT   13   23                                                      
CONECT   14   13   13                                                 
CONECT   15   13   46                                                 
CONECT   16   12   17   47   48                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   20   49                                       
CONECT   19   17   21   21   50                                       
CONECT   20   18   22   22   51                                       
CONECT   21   19   19   22   52                                       
CONECT   22   20   20   21   53                                       
CONECT   23   24   54   13                                            
CONECT   24   23   25   27   55                                       
CONECT   25   24   26   26   31                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   56   57                                       
CONECT   28   27   29   30   58                                       
CONECT   29   28   59   60   61                                       
CONECT   30   28   62   63   64                                       
CONECT   31   32   65   25                                            
CONECT   32   31   33   35   66                                       
CONECT   33   32   34   34   36                                       
CONECT   34   33   33                                                 
CONECT   35   32   67   68   69                                       
CONECT   36   33   70                                                 
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
