COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       9.348   1.214   0.857  1.00  0.00           N  
HETATM    2  C   UNK A   0       8.243   0.628   0.086  1.00  0.00           C  
HETATM    3  C   UNK A   0       6.932   0.969   0.747  1.00  0.00           C  
HETATM    4  O   UNK A   0       6.910   1.302   1.913  1.00  0.00           O  
HETATM    5  C   UNK A   0       8.408  -0.892   0.033  1.00  0.00           C  
HETATM    6  C   UNK A   0       9.676  -1.241  -0.747  1.00  0.00           C  
HETATM    7  C   UNK A   0       9.839  -2.739  -0.799  1.00  0.00           C  
HETATM    8  O   UNK A   0       9.023  -3.453  -0.266  1.00  0.00           O  
HETATM    9  O   UNK A   0      10.889  -3.278  -1.438  1.00  0.00           O  
HETATM   10  N   UNK A   0       5.785   0.902   0.043  1.00  0.00           N  
HETATM   11  C   UNK A   0       4.511   1.234   0.686  1.00  0.00           C  
HETATM   12  C   UNK A   0       3.388   0.532  -0.034  1.00  0.00           C  
HETATM   13  O   UNK A   0       3.571   0.073  -1.141  1.00  0.00           O  
HETATM   14  C   UNK A   0       4.288   2.746   0.627  1.00  0.00           C  
HETATM   15  C   UNK A   0       5.371   3.453   1.445  1.00  0.00           C  
HETATM   16  C   UNK A   0       4.359   3.216  -0.827  1.00  0.00           C  
HETATM   17  N   UNK A   0       2.181   0.415   0.554  1.00  0.00           N  
HETATM   18  C   UNK A   0       1.110  -0.328  -0.115  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.186   0.431   0.017  1.00  0.00           C  
HETATM   20  O   UNK A   0      -0.212   1.488   0.611  1.00  0.00           O  
HETATM   21  C   UNK A   0       0.962  -1.706   0.533  1.00  0.00           C  
HETATM   22  C   UNK A   0       2.221  -2.504   0.309  1.00  0.00           C  
HETATM   23  O   UNK A   0       3.103  -2.060  -0.395  1.00  0.00           O  
HETATM   24  N   UNK A   0       2.366  -3.711   0.890  1.00  0.00           N  
HETATM   25  N   UNK A   0      -1.315  -0.065  -0.526  1.00  0.00           N  
HETATM   26  C   UNK A   0      -2.575   0.672  -0.398  1.00  0.00           C  
HETATM   27  C   UNK A   0      -3.685  -0.287   0.038  1.00  0.00           C  
HETATM   28  O   UNK A   0      -3.264  -1.007   1.198  1.00  0.00           O  
HETATM   29  C   UNK A   0      -4.949   0.512   0.363  1.00  0.00           C  
HETATM   30  C   UNK A   0      -6.062  -0.437   0.843  1.00  0.00           C  
HETATM   31  C   UNK A   0      -6.423  -0.002   2.279  1.00  0.00           C  
HETATM   32  C   UNK A   0      -5.984   1.482   2.348  1.00  0.00           C  
HETATM   33  C   UNK A   0      -4.672   1.489   1.524  1.00  0.00           C  
HETATM   34  C   UNK A   0      -7.268  -0.312  -0.052  1.00  0.00           C  
HETATM   35  O   UNK A   0      -7.251   0.458  -0.988  1.00  0.00           O  
HETATM   36  C   UNK A   0      -2.940   1.296  -1.746  1.00  0.00           C  
HETATM   37  C   UNK A   0      -1.892   2.346  -2.122  1.00  0.00           C  
HETATM   38  C   UNK A   0      -2.187   2.882  -3.524  1.00  0.00           C  
HETATM   39  C   UNK A   0      -1.941   3.498  -1.116  1.00  0.00           C  
ATOM     40  N   ALA A   1      -8.365  -1.057   0.188  1.00  0.00           N  
ATOM     41  CA  ALA A   1      -9.537  -0.936  -0.683  1.00  0.00           C  
ATOM     42  C   ALA A   1     -10.772  -1.344   0.079  1.00  0.00           C  
ATOM     43  O   ALA A   1     -10.682  -1.699   1.230  1.00  0.00           O  
ATOM     44  CB  ALA A   1      -9.364  -1.847  -1.900  1.00  0.00           C  
ATOM     45  OXT ALA A   1     -11.972  -1.313  -0.522  1.00  0.00           O  
HETATM   46  H   UNK A   0       9.297   2.221   0.853  1.00  0.00           H  
HETATM   47  H   UNK A   0       9.359   0.857   1.801  1.00  0.00           H  
HETATM   48  H   UNK A   0       8.254   1.030  -0.927  1.00  0.00           H  
HETATM   49  H   UNK A   0       8.486  -1.285   1.047  1.00  0.00           H  
HETATM   50  H   UNK A   0       7.543  -1.334  -0.462  1.00  0.00           H  
HETATM   51  H   UNK A   0       9.598  -0.849  -1.761  1.00  0.00           H  
HETATM   52  H   UNK A   0      10.541  -0.799  -0.252  1.00  0.00           H  
HETATM   53  H   UNK A   0      10.950  -4.243  -1.444  1.00  0.00           H  
HETATM   54  H   UNK A   0       5.803   0.636  -0.889  1.00  0.00           H  
HETATM   55  H   UNK A   0       4.534   0.910   1.727  1.00  0.00           H  
HETATM   56  H   UNK A   0       3.308   2.985   1.039  1.00  0.00           H  
HETATM   57  H   UNK A   0       6.344   3.280   0.985  1.00  0.00           H  
HETATM   58  H   UNK A   0       5.167   4.524   1.470  1.00  0.00           H  
HETATM   59  H   UNK A   0       5.374   3.060   2.461  1.00  0.00           H  
HETATM   60  H   UNK A   0       3.587   2.712  -1.409  1.00  0.00           H  
HETATM   61  H   UNK A   0       4.200   4.294  -0.869  1.00  0.00           H  
HETATM   62  H   UNK A   0       5.339   2.977  -1.239  1.00  0.00           H  
HETATM   63  H   UNK A   0       2.021   0.822   1.420  1.00  0.00           H  
HETATM   64  H   UNK A   0       1.355  -0.447  -1.171  1.00  0.00           H  
HETATM   65  H   UNK A   0       0.793  -1.587   1.604  1.00  0.00           H  
HETATM   66  H   UNK A   0       0.116  -2.228   0.088  1.00  0.00           H  
HETATM   67  H   UNK A   0       1.660  -4.067   1.453  1.00  0.00           H  
HETATM   68  H   UNK A   0       3.176  -4.225   0.746  1.00  0.00           H  
HETATM   69  H   UNK A   0      -1.294  -0.911  -1.001  1.00  0.00           H  
HETATM   70  H   UNK A   0      -2.461   1.459   0.348  1.00  0.00           H  
HETATM   71  H   UNK A   0      -3.896  -0.988  -0.769  1.00  0.00           H  
HETATM   72  H   UNK A   0      -3.059  -0.445   1.957  1.00  0.00           H  
HETATM   73  H   UNK A   0      -5.281   1.061  -0.517  1.00  0.00           H  
HETATM   74  H   UNK A   0      -5.701  -1.465   0.844  1.00  0.00           H  
HETATM   75  H   UNK A   0      -7.496  -0.091   2.446  1.00  0.00           H  
HETATM   76  H   UNK A   0      -5.872  -0.597   3.007  1.00  0.00           H  
HETATM   77  H   UNK A   0      -6.732   2.128   1.889  1.00  0.00           H  
HETATM   78  H   UNK A   0      -5.794   1.781   3.379  1.00  0.00           H  
HETATM   79  H   UNK A   0      -3.839   1.135   2.131  1.00  0.00           H  
HETATM   80  H   UNK A   0      -4.468   2.489   1.141  1.00  0.00           H  
HETATM   81  H   UNK A   0      -2.967   0.520  -2.510  1.00  0.00           H  
HETATM   82  H   UNK A   0      -3.919   1.770  -1.674  1.00  0.00           H  
HETATM   83  H   UNK A   0      -0.901   1.893  -2.107  1.00  0.00           H  
HETATM   84  H   UNK A   0      -3.178   3.335  -3.539  1.00  0.00           H  
HETATM   85  H   UNK A   0      -1.441   3.630  -3.792  1.00  0.00           H  
HETATM   86  H   UNK A   0      -2.152   2.061  -4.241  1.00  0.00           H  
HETATM   87  H   UNK A   0      -1.731   3.117  -0.117  1.00  0.00           H  
HETATM   88  H   UNK A   0      -1.195   4.246  -1.384  1.00  0.00           H  
HETATM   89  H   UNK A   0      -2.932   3.952  -1.131  1.00  0.00           H  
ATOM     90  H   ALA A   1      -8.378  -1.674   0.937  1.00  0.00           H  
ATOM     91  HA  ALA A   1      -9.639   0.097  -1.013  1.00  0.00           H  
ATOM     92  HB1 ALA A   1      -9.263  -2.881  -1.569  1.00  0.00           H  
ATOM     93  HB2 ALA A   1     -10.237  -1.757  -2.547  1.00  0.00           H  
ATOM     94  HB3 ALA A   1      -8.471  -1.552  -2.450  1.00  0.00           H  
ATOM     95  HXT ALA A   1     -12.735  -1.583   0.006  1.00  0.00           H  
CONECT    1    2   46   47                                            
CONECT    2    1    3    5   48                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   49   50                                       
CONECT    6    5    7   51   52                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   53                                                 
CONECT   10   11   54    3                                            
CONECT   11   10   12   14   55                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   56                                       
CONECT   15   14   57   58   59                                       
CONECT   16   14   60   61   62                                       
CONECT   17   18   63   12                                            
CONECT   18   17   19   21   64                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   65   66                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   67   68                                            
CONECT   25   26   69   19                                            
CONECT   26   25   27   36   70                                       
CONECT   27   26   28   29   71                                       
CONECT   28   27   72                                                 
CONECT   29   27   30   33   73                                       
CONECT   30   29   31   34   74                                       
CONECT   31   30   32   75   76                                       
CONECT   32   31   33   77   78                                       
CONECT   33   29   32   79   80                                       
CONECT   34   30   35   35   40                                       
CONECT   35   34   34                                                 
CONECT   36   26   37   81   82                                       
CONECT   37   36   38   39   83                                       
CONECT   38   37   84   85   86                                       
CONECT   39   37   87   88   89                                       
CONECT   40   41   90   34                                            
CONECT   41   40   42   44   91                                       
CONECT   42   41   43   43   45                                       
CONECT   43   42   42                                                 
CONECT   44   41   92   93   94                                       
CONECT   45   42   95                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
