COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNK A   1      17.897 -12.335  41.370  1.00  0.00           S  
HETATM    2  C   UNK A   1      17.995 -11.321  42.892  1.00  0.00           C  
HETATM    3  C   UNK A   1      18.493 -10.101  42.644  1.00  0.00           C  
HETATM    4  C   UNK A   1      18.435  -9.403  41.121  1.00  0.00           C  
HETATM    5  N   UNK A   1      17.970  -9.851  40.226  1.00  0.00           N  
HETATM    6  C   UNK A   1      17.246 -11.060  40.387  1.00  0.00           C  
HETATM    7  C   UNK A   1      19.182  -9.365  43.717  1.00  0.00           C  
HETATM    8  C   UNK A   1      19.067  -8.034  41.006  1.00  0.00           C  
HETATM    9  O   UNK A   1      18.650  -7.267  40.126  1.00  0.00           O  
HETATM   10  O   UNK A   1      20.008  -7.611  41.706  1.00  0.00           O  
HETATM   11  O   UNK A   1      17.057  -9.891  37.255  1.00  0.00           O  
HETATM   12  N   UNK A   1      17.986 -12.234  38.373  1.00  0.00           N  
HETATM   13  C   UNK A   1      16.905 -11.633  38.984  1.00  0.00           C  
HETATM   14  C   UNK A   1      16.399 -10.386  38.118  1.00  0.00           C  
HETATM   15  C   UNK A   0      18.185 -13.584  38.012  1.00  0.00           C  
HETATM   16  C   UNK A   0      19.199 -14.064  37.466  1.00  0.00           C  
HETATM   17  C   UNK A   0      20.058 -15.106  38.395  1.00  0.00           C  
HETATM   18  C   UNK A   0      19.456 -15.423  39.583  1.00  0.00           C  
HETATM   19  C   UNK A   0      20.114 -16.285  40.447  1.00  0.00           C  
HETATM   20  C   UNK A   0      21.347 -16.814  40.088  1.00  0.00           C  
HETATM   21  C   UNK A   0      21.899 -16.510  38.849  1.00  0.00           C  
HETATM   22  C   UNK A   0      21.273 -15.582  38.034  1.00  0.00           C  
HETATM   23  O   UNK A   0      17.061 -14.281  38.387  1.00  0.00           O  
HETATM   24  C   UNK A   1      20.463 -10.134  43.618  1.00  0.00           C  
HETATM   25  C   UNK A   1      21.401 -10.179  44.795  1.00  0.00           C  
HETATM   26  C   UNK A   1      22.511 -11.023  44.231  1.00  0.00           C  
HETATM   27  N   UNK A   1      21.709  -8.817  45.254  1.00  0.00           N  
HETATM   28  O   UNK A   1      22.403 -12.227  44.035  1.00  0.00           O  
ATOM     29  N   ALA A   2      23.711 -10.387  43.897  1.00  0.00           N  
HETATM   30  C   UNK A   1      22.355  -8.636  46.494  1.00  0.00           C  
HETATM   31  O   UNK A   1      22.671  -9.772  46.899  1.00  0.00           O  
HETATM   32  C   UNK A   1      22.366  -7.136  46.736  1.00  0.00           C  
ATOM     33  CB  ALA A   3      25.026 -14.173  39.326  1.00  0.00           C  
ATOM     34  CA  ALA A   2      24.692 -11.159  43.126  1.00  0.00           C  
ATOM     35  CB  ALA A   2      25.970 -10.314  43.147  1.00  0.00           C  
ATOM     36  C   ALA A   2      24.161 -11.386  41.744  1.00  0.00           C  
ATOM     37  O   ALA A   2      23.393 -10.642  41.239  1.00  0.00           O  
ATOM     38  N   ALA A   3      24.670 -12.558  41.195  1.00  0.00           N  
ATOM     39  CA  ALA A   3      24.415 -12.841  39.799  1.00  0.00           C  
ATOM     40  C   ALA A   3      25.134 -11.895  38.867  1.00  0.00           C  
ATOM     41  O   ALA A   3      25.975 -11.099  39.337  1.00  0.00           O  
ATOM     42  OXT ALA A   3      24.877 -12.043  37.676  1.00  0.00           O  
HETATM   43  C   UNK A   1      22.846  -6.811  48.166  1.00  0.00           C  
HETATM   44  C   UNK A   1      22.780  -5.262  48.346  1.00  0.00           C  
HETATM   45  C   UNK A   1      23.393  -4.682  47.036  1.00  0.00           C  
HETATM   46  N   UNK A   1      23.446  -4.780  49.529  1.00  0.00           N  
HETATM   47  C   UNK A   0      24.683  -4.258  49.742  1.00  0.00           C  
HETATM   48  O   UNK A   1      24.465  -5.195  46.630  1.00  0.00           O  
HETATM   49  O   UNK A   1      22.748  -3.752  46.502  1.00  0.00           O  
HETATM   50  O   UNK A   1      15.166 -10.048  38.458  1.00  0.00           O  
HETATM   51  C   UNK A   0      24.802  -3.025  50.647  1.00  0.00           C  
HETATM   52  O   UNK A   0      25.632  -5.018  49.827  1.00  0.00           O  
HETATM   53  H   UNK A   1      17.006 -11.260  43.404  1.00  0.00           H  
HETATM   54  H   UNK A   1      18.573 -11.841  43.690  1.00  0.00           H  
HETATM   55  H   UNK A   1      18.683  -9.981  39.508  1.00  0.00           H  
HETATM   56  H   UNK A   1      16.364 -10.728  40.983  1.00  0.00           H  
HETATM   57  H   UNK A   1      19.236  -8.254  43.631  1.00  0.00           H  
HETATM   58  H   UNK A   1      18.683  -9.314  44.713  1.00  0.00           H  
HETATM   59  H   UNK A   1      20.405  -6.751  41.633  1.00  0.00           H  
HETATM   60  H   UNK A   1      18.745 -11.588  38.157  1.00  0.00           H  
HETATM   61  H   UNK A   1      16.133 -12.433  39.074  1.00  0.00           H  
HETATM   62  H   UNK A   0      18.923 -14.547  36.499  1.00  0.00           H  
HETATM   63  H   UNK A   0      19.859 -13.246  37.093  1.00  0.00           H  
HETATM   64  H   UNK A   0      18.470 -14.996  39.836  1.00  0.00           H  
HETATM   65  H   UNK A   0      19.658 -16.548  41.416  1.00  0.00           H  
HETATM   66  H   UNK A   0      21.887 -17.475  40.786  1.00  0.00           H  
HETATM   67  H   UNK A   0      22.827 -17.002  38.514  1.00  0.00           H  
HETATM   68  H   UNK A   0      21.740 -15.223  37.101  1.00  0.00           H  
HETATM   69  H   UNK A   1      20.225 -11.180  43.314  1.00  0.00           H  
HETATM   70  H   UNK A   1      21.027  -9.768  42.729  1.00  0.00           H  
HETATM   71  H   UNK A   1      21.034 -10.625  45.748  1.00  0.00           H  
HETATM   72  H   UNK A   1      21.472  -7.989  44.706  1.00  0.00           H  
ATOM     73  H   ALA A   2      23.860  -9.423  44.196  1.00  0.00           H  
HETATM   74  H   UNK A   1      22.969  -6.599  45.967  1.00  0.00           H  
HETATM   75  H   UNK A   1      21.372  -6.677  46.521  1.00  0.00           H  
ATOM     76  HB1 ALA A   3      24.829 -14.391  38.250  1.00  0.00           H  
ATOM     77  HB2 ALA A   3      26.119 -14.206  39.543  1.00  0.00           H  
ATOM     78  HB3 ALA A   3      24.683 -15.016  39.970  1.00  0.00           H  
ATOM     79  HA  ALA A   2      24.898 -12.171  43.545  1.00  0.00           H  
ATOM     80  HB1 ALA A   2      26.715 -10.900  42.561  1.00  0.00           H  
ATOM     81  HB2 ALA A   2      25.827  -9.271  42.779  1.00  0.00           H  
ATOM     82  HB3 ALA A   2      26.314 -10.042  44.172  1.00  0.00           H  
ATOM     83  H   ALA A   3      25.208 -13.185  41.792  1.00  0.00           H  
ATOM     84  HA  ALA A   3      23.301 -12.795  39.756  1.00  0.00           H  
ATOM     85  HXT ALA A   3      25.329 -11.447  37.089  1.00  0.00           H  
HETATM   86  H   UNK A   1      22.277  -7.363  48.950  1.00  0.00           H  
HETATM   87  H   UNK A   1      23.853  -7.231  48.391  1.00  0.00           H  
HETATM   88  H   UNK A   1      21.728  -4.927  48.503  1.00  0.00           H  
HETATM   89  H   UNK A   1      22.928  -4.816  50.407  1.00  0.00           H  
HETATM   90  H   UNK A   1      24.838  -4.841  45.831  1.00  0.00           H  
HETATM   91  H   UNK A   1      14.641 -10.442  39.145  1.00  0.00           H  
HETATM   92  H   UNK A   0      25.816  -2.596  50.821  1.00  0.00           H  
HETATM   93  H   UNK A   0      24.129  -2.223  50.261  1.00  0.00           H  
HETATM   94  H   UNK A   0      24.325  -3.247  51.630  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   53   54                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6   55                                            
CONECT    6    1    5   13   56                                       
CONECT    7    3   24   57   58                                       
CONECT    8    4    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   59                                                 
CONECT   11   14   14                                                 
CONECT   12   13   15   60                                            
CONECT   13    6   12   14   61                                       
CONECT   14   11   11   13   50                                       
CONECT   15   12   16   23   23                                       
CONECT   16   15   17   62   63                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   64                                       
CONECT   19   18   20   20   65                                       
CONECT   20   19   19   21   66                                       
CONECT   21   20   22   22   67                                       
CONECT   22   17   21   21   68                                       
CONECT   23   15   15                                                 
CONECT   24    7   25   69   70                                       
CONECT   25   24   26   27   71                                       
CONECT   26   25   28   28   29                                       
CONECT   27   25   30   72                                            
CONECT   28   26   26                                                 
CONECT   29   26   34   73                                            
CONECT   30   27   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   43   74   75                                       
CONECT   33   39   76   77   78                                       
CONECT   34   29   35   36   79                                       
CONECT   35   34   80   81   82                                       
CONECT   36   34   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   83                                            
CONECT   39   33   38   40   84                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   85                                                 
CONECT   43   32   44   86   87                                       
CONECT   44   43   45   46   88                                       
CONECT   45   44   48   49   49                                       
CONECT   46   44   47   89                                            
CONECT   47   46   51   52   52                                       
CONECT   48   45   90                                                 
CONECT   49   45   45                                                 
CONECT   50   14   91                                                 
CONECT   51   47   92   93   94                                       
CONECT   52   47   47                                                 
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   46                                                      
CONECT   90   48                                                      
CONECT   91   50                                                      
CONECT   92   51                                                      
CONECT   93   51                                                      
CONECT   94   51                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
