COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       4.464   3.434   0.372  1.00  0.00           C  
HETATM    2  C   UNK A   0       3.262   4.130   0.445  1.00  0.00           C  
HETATM    3  C   UNK A   0       2.061   3.458   0.422  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.025   2.068   0.323  1.00  0.00           C  
HETATM    5  C   UNK A   0       3.250   1.362   0.247  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.457   2.056   0.267  1.00  0.00           C  
HETATM    7  C   UNK A   0       1.523  -0.108   0.175  1.00  0.00           C  
HETATM    8  C   UNK A   0       2.911  -0.067   0.148  1.00  0.00           C  
HETATM    9  C   UNK A   0       0.779  -1.266   0.104  1.00  0.00           C  
HETATM   10  C   UNK A   0       1.466  -2.506  -0.003  1.00  0.00           C  
HETATM   11  C   UNK A   0       2.879  -2.494  -0.034  1.00  0.00           C  
HETATM   12  C   UNK A   0       3.596  -1.289   0.040  1.00  0.00           C  
HETATM   13  C   UNK A   0       5.025  -1.660  -0.021  1.00  0.00           C  
HETATM   14  C   UNK A   0      -1.279  -2.331   0.069  1.00  0.00           C  
HETATM   15  C   UNK A   0      -0.663  -3.588  -0.038  1.00  0.00           C  
HETATM   16  C   UNK A   0       0.704  -3.680  -0.073  1.00  0.00           C  
HETATM   17  C   UNK A   0       3.894  -3.559  -0.138  1.00  0.00           C  
HETATM   18  F   UNK A   0      -1.417  -4.707  -0.105  1.00  0.00           F  
HETATM   19  N   UNK A   0      -0.573  -1.262   0.134  1.00  0.00           N1+
HETATM   20  N   UNK A   0       1.008   1.168   0.280  1.00  0.00           N  
HETATM   21  N   UNK A   0       5.115  -2.998  -0.124  1.00  0.00           N  
HETATM   22  O   UNK A   0       5.644   4.108   0.398  1.00  0.00           O  
HETATM   23  O   UNK A   0       3.664  -4.749  -0.222  1.00  0.00           O  
HETATM   24  O   UNK A   0       5.960  -0.887   0.016  1.00  0.00           O  
HETATM   25 RU   UNK A   0      -0.882   0.666   0.284  1.00  0.00          Ru  
HETATM   26  C   UNK A   0      -1.781   1.149   1.992  1.00  0.00           C  
HETATM   27  O   UNK A   0      -2.234   1.393   2.854  1.00  0.00           O1+
HETATM   28  C   UNK A   0      -1.946   2.787  -0.932  1.00  0.00           C  
HETATM   29  C   UNK A   0      -1.727   1.299  -1.090  1.00  0.00           C  
HETATM   30  C   UNK A   0      -0.885   1.156  -2.338  1.00  0.00           C  
HETATM   31  C   UNK A   0      -0.670   2.382  -2.800  1.00  0.00           C  
HETATM   32  C   UNK A   0      -1.322   3.377  -1.945  1.00  0.00           C  
HETATM   33  C   UNK A   0      -3.047   0.592  -1.263  1.00  0.00           C  
ATOM     34  CB  ALA A   1      -4.712  -1.952  -0.294  1.00  0.00           C  
ATOM     35  CA  ALA A   1      -5.043  -0.459  -0.342  1.00  0.00           C  
ATOM     36  C   ALA A   1      -5.995  -0.119   0.776  1.00  0.00           C  
ATOM     37  N   ALA A   1      -3.811   0.319  -0.187  1.00  0.00           N  
HETATM   38  O   UNK A   0      -3.421   0.268  -2.371  1.00  0.00           O  
ATOM     39  O   ALA A   1      -7.311  -0.343   0.628  1.00  0.00           O  
ATOM     40  OXT ALA A   1      -5.575   0.355   1.804  1.00  0.00           O  
HETATM   41  H   UNK A   0       5.949  -3.490  -0.182  1.00  0.00           H  
HETATM   42  H   UNK A   0       5.390   1.516   0.211  1.00  0.00           H  
HETATM   43  H   UNK A   0       1.137   4.014   0.480  1.00  0.00           H  
HETATM   44  H   UNK A   0       3.271   5.207   0.522  1.00  0.00           H  
HETATM   45  H   UNK A   0       6.002   4.240   1.287  1.00  0.00           H  
HETATM   46  H   UNK A   0       1.187  -4.643  -0.155  1.00  0.00           H  
HETATM   47  H   UNK A   0      -2.357  -2.264   0.097  1.00  0.00           H  
HETATM   48  H   UNK A   0      -0.524   0.234  -2.768  1.00  0.00           H  
HETATM   49  H   UNK A   0      -0.097   2.613  -3.685  1.00  0.00           H  
HETATM   50  H   UNK A   0      -1.294   4.444  -2.112  1.00  0.00           H  
HETATM   51  H   UNK A   0      -2.506   3.276  -0.148  1.00  0.00           H  
ATOM     52  H   ALA A   1      -3.546   0.638   0.690  1.00  0.00           H  
ATOM     53  HA  ALA A   1      -5.506  -0.220  -1.299  1.00  0.00           H  
ATOM     54  HB1 ALA A   1      -5.629  -2.531  -0.410  1.00  0.00           H  
ATOM     55  HB2 ALA A   1      -4.024  -2.197  -1.103  1.00  0.00           H  
ATOM     56  HB3 ALA A   1      -4.249  -2.191   0.663  1.00  0.00           H  
ATOM     57  H   ALA A   1      -7.882  -0.110   1.372  1.00  0.00           H  
CONECT    1    6    2    2   22                                       
CONECT    2    1    1    3   44                                       
CONECT    3    4    4    2   43                                       
CONECT    4    5    3    3   20                                       
CONECT    5    8    4    6    6                                       
CONECT    6    5    5    1   42                                       
CONECT    7    8    8    9   20                                       
CONECT    8   12    5    7    7                                       
CONECT    9   10   10    7   19                                       
CONECT   10   11    9    9   16                                       
CONECT   11   12   12   17   10                                       
CONECT   12   13    8   11   11                                       
CONECT   13   24   24   12   21                                       
CONECT   14   19   19   15   47                                       
CONECT   15   14   16   16   18                                       
CONECT   16   10   15   15   46                                       
CONECT   17   11   21   23   23                                       
CONECT   18   15                                                      
CONECT   19    9   14   14   25                                       
CONECT   20    4    7   25                                            
CONECT   21   13   17   41                                            
CONECT   22    1   45                                                 
CONECT   23   17   17                                                 
CONECT   24   13   13                                                 
CONECT   25   20   19   26   29                                       
CONECT   26   25   27   27   27                                       
CONECT   27   26   26   26                                            
CONECT   28   32   32   29   51                                       
CONECT   29   25   30   28   33                                       
CONECT   30   31   31   29   48                                       
CONECT   31   30   30   32   49                                       
CONECT   32   31   28   28   50                                       
CONECT   33   29   38   38   37                                       
CONECT   34   35   54   55   56                                       
CONECT   35   37   34   36   53                                       
CONECT   36   35   39   40   40                                       
CONECT   37   33   35   52                                            
CONECT   38   33   33                                                 
CONECT   39   36   57                                                 
CONECT   40   36   36                                                 
CONECT   41   21                                                      
CONECT   42    6                                                      
CONECT   43    3                                                      
CONECT   44    2                                                      
CONECT   45   22                                                      
CONECT   46   16                                                      
CONECT   47   14                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
CONECT   50   32                                                      
CONECT   51   28                                                      
CONECT   52   37                                                      
CONECT   53   35                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
CONECT   57   39                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
