COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       7.139  -0.828   0.236  1.00  0.00           C  
HETATM    2  C   UNK A   0       8.332  -0.850   1.156  1.00  0.00           C  
HETATM    3  C   UNK A   0       7.992  -1.658   2.411  1.00  0.00           C  
HETATM    4  O   UNK A   0       7.199  -1.369  -0.848  1.00  0.00           O  
HETATM    5  O   UNK A   0       9.439  -1.455   0.486  1.00  0.00           O  
ATOM      6  N   ALA A   1       6.003  -0.211   0.619  1.00  0.00           N  
ATOM      7  CA  ALA A   1       4.844  -0.189  -0.276  1.00  0.00           C  
ATOM      8  C   ALA A   1       3.979   1.000   0.051  1.00  0.00           C  
ATOM      9  O   ALA A   1       4.299   1.755   0.945  1.00  0.00           O  
ATOM     10  CB  ALA A   1       4.034  -1.474  -0.094  1.00  0.00           C  
HETATM   11  N   UNK A   2       2.849   1.225  -0.648  1.00  0.00           N  
HETATM   12  C   UNK A   2       2.008   2.382  -0.330  1.00  0.00           C  
HETATM   13  C   UNK A   2       2.527   3.596  -1.056  1.00  0.00           C  
HETATM   14  O   UNK A   2       3.500   3.504  -1.767  1.00  0.00           O  
HETATM   15  C   UNK A   2       0.569   2.102  -0.768  1.00  0.00           C  
HETATM   16  C   UNK A   2      -0.001   0.947   0.058  1.00  0.00           C  
HETATM   17  C   UNK A   2      -1.418   0.672  -0.374  1.00  0.00           C  
HETATM   18  O   UNK A   2      -1.923   1.334  -1.256  1.00  0.00           O  
HETATM   19  O   UNK A   2       1.909   4.779  -0.913  1.00  0.00           O  
HETATM   20  N   UNK A   2      -2.125  -0.310   0.220  1.00  0.00           N  
HETATM   21  C   UNK A   2      -3.503  -0.578  -0.200  1.00  0.00           C  
HETATM   22  C   UNK A   2      -4.440   0.344   0.536  1.00  0.00           C  
HETATM   23  O   UNK A   2      -4.001   1.146   1.333  1.00  0.00           O  
HETATM   24  C   UNK A   2      -3.860  -2.030   0.121  1.00  0.00           C  
HETATM   25  C   UNK A   2      -2.991  -2.967  -0.721  1.00  0.00           C  
HETATM   26  C   UNK A   2      -3.349  -4.420  -0.401  1.00  0.00           C  
HETATM   27  C   UNK A   2      -2.480  -5.357  -1.242  1.00  0.00           C  
HETATM   28  N   UNK A   2      -2.823  -6.751  -0.935  1.00  0.00           N1+
HETATM   29  N   UNK A   2      -5.767   0.278   0.309  1.00  0.00           N  
HETATM   30  C   UNK A   2      -6.678   1.174   1.024  1.00  0.00           C  
HETATM   31  C   UNK A   2      -7.029   0.566   2.384  1.00  0.00           C  
HETATM   32  C   UNK A   2      -7.937   1.360   0.217  1.00  0.00           C  
HETATM   33  O   UNK A   2      -8.061   0.798  -0.851  1.00  0.00           O  
HETATM   34  N   UNK A   2      -8.926   2.149   0.682  1.00  0.00           N  
HETATM   35  H   UNK A   0       8.591   0.169   1.440  1.00  0.00           H  
HETATM   36  H   UNK A   0       7.733  -2.678   2.127  1.00  0.00           H  
HETATM   37  H   UNK A   0       8.855  -1.674   3.077  1.00  0.00           H  
HETATM   38  H   UNK A   0       7.147  -1.197   2.922  1.00  0.00           H  
HETATM   39  H   UNK A   0       9.279  -2.366   0.204  1.00  0.00           H  
ATOM     40  H   ALA A   1       5.954   0.218   1.487  1.00  0.00           H  
ATOM     41  HA  ALA A   1       5.184  -0.118  -1.310  1.00  0.00           H  
ATOM     42  HB1 ALA A   1       4.660  -2.335  -0.331  1.00  0.00           H  
ATOM     43  HB2 ALA A   1       3.694  -1.546   0.939  1.00  0.00           H  
ATOM     44  HB3 ALA A   1       3.171  -1.458  -0.760  1.00  0.00           H  
HETATM   45  H   UNK A   2       2.592   0.621  -1.363  1.00  0.00           H  
HETATM   46  H   UNK A   2       2.032   2.563   0.745  1.00  0.00           H  
HETATM   47  H   UNK A   2      -0.038   2.994  -0.613  1.00  0.00           H  
HETATM   48  H   UNK A   2       0.557   1.834  -1.825  1.00  0.00           H  
HETATM   49  H   UNK A   2       0.606   0.055  -0.097  1.00  0.00           H  
HETATM   50  H   UNK A   2       0.011   1.216   1.114  1.00  0.00           H  
HETATM   51  H   UNK A   2       2.279   5.529  -1.399  1.00  0.00           H  
HETATM   52  H   UNK A   2      -1.721  -0.840   0.925  1.00  0.00           H  
HETATM   53  H   UNK A   2      -3.595  -0.409  -1.273  1.00  0.00           H  
HETATM   54  H   UNK A   2      -3.683  -2.224   1.179  1.00  0.00           H  
HETATM   55  H   UNK A   2      -4.911  -2.205  -0.109  1.00  0.00           H  
HETATM   56  H   UNK A   2      -3.169  -2.774  -1.779  1.00  0.00           H  
HETATM   57  H   UNK A   2      -1.940  -2.793  -0.491  1.00  0.00           H  
HETATM   58  H   UNK A   2      -3.172  -4.613   0.657  1.00  0.00           H  
HETATM   59  H   UNK A   2      -4.400  -4.595  -0.631  1.00  0.00           H  
HETATM   60  H   UNK A   2      -2.657  -5.164  -2.300  1.00  0.00           H  
HETATM   61  H   UNK A   2      -1.429  -5.182  -1.012  1.00  0.00           H  
HETATM   62  H   UNK A   2      -2.250  -7.369  -1.490  1.00  0.00           H  
HETATM   63  H   UNK A   2      -2.659  -6.930   0.045  1.00  0.00           H  
HETATM   64  H   UNK A   2      -3.796  -6.913  -1.148  1.00  0.00           H  
HETATM   65  H   UNK A   2      -6.118  -0.363  -0.328  1.00  0.00           H  
HETATM   66  H   UNK A   2      -6.196   2.141   1.172  1.00  0.00           H  
HETATM   67  H   UNK A   2      -6.119   0.432   2.968  1.00  0.00           H  
HETATM   68  H   UNK A   2      -7.707   1.233   2.916  1.00  0.00           H  
HETATM   69  H   UNK A   2      -7.512  -0.400   2.236  1.00  0.00           H  
HETATM   70  H   UNK A   2      -8.827   2.599   1.536  1.00  0.00           H  
HETATM   71  H   UNK A   2      -9.736   2.269   0.162  1.00  0.00           H  
CONECT    1    4    4    6    2                                       
CONECT    2    3    1    5   35                                       
CONECT    3    2   36   37   38                                       
CONECT    4    1    1                                                 
CONECT    5    2   39                                                 
CONECT    6    1    7   40                                            
CONECT    7    6    8   10   41                                       
CONECT    8    7   11    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    7   42   43   44                                       
CONECT   11   12    8   45                                            
CONECT   12   15   11   13   46                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   16   12   47   48                                       
CONECT   16   15   17   49   50                                       
CONECT   17   16   20   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   13   51                                                 
CONECT   20   17   21   52                                            
CONECT   21   24   20   22   53                                       
CONECT   22   21   23   23   29                                       
CONECT   23   22   22                                                 
CONECT   24   25   21   54   55                                       
CONECT   25   24   26   56   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   28   26   60   61                                       
CONECT   28   27   62   63   64                                       
CONECT   29   22   30   65                                            
CONECT   30   31   29   32   66                                       
CONECT   31   30   67   68   69                                       
CONECT   32   30   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   70   71                                            
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
