COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.393  -0.840  -0.197  1.00  0.00           C  
HETATM    2  C   UNL     1       4.208   0.129  -0.217  1.00  0.00           C  
HETATM    3  C   UNL     1       2.918  -0.638   0.078  1.00  0.00           C  
HETATM    4  C   UNL     1       1.733   0.331   0.059  1.00  0.00           C  
HETATM    5  C   UNL     1       1.875   1.321   1.186  1.00  0.00           C  
HETATM    6  C   UNL     1       0.431  -0.454   0.230  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.518  -0.373  -0.170  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.684   0.479  -0.677  1.00  0.00           C  
HETATM    9  O   UNL     1       2.826   1.259   1.928  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.780   1.123  -1.603  1.00  0.00           O  
HETATM   11  CA  UNL     1      -4.975  -0.342  -0.626  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.050  -1.735   1.059  1.00  0.00           C  
HETATM   13  O   UNL     1       8.579  -1.196   0.343  1.00  0.00           O  
HETATM   14  C   UNL     1       7.832  -1.043  -0.595  1.00  0.00           C  
HETATM   15  OXT UNL     1       8.025  -1.738  -1.727  1.00  0.00           O  
HETATM   16  CA  UNL     1       6.683  -0.073  -0.493  1.00  0.00           C  
HETATM   17  N   UNL     1       6.944   0.883   0.592  1.00  0.00           N  
HETATM   18  O   UNL     1       0.945   2.272   1.364  1.00  0.00           O  
HETATM   19  P   UNL     1      -0.981   0.604  -0.232  1.00  0.00           P  
HETATM   20  O   UNL     1      -1.087   1.837   0.798  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.100   0.453  -1.238  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.073   0.730  -0.578  1.00  0.00           O  
HETATM   23  OXT UNL     1      -6.020   0.853  -2.517  1.00  0.00           O  
HETATM   24  N   UNL     1      -5.300  -0.654   0.768  1.00  0.00           N  
HETATM   25  O   UNL     1      -6.455  -2.450   0.167  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.384  -2.056   2.493  1.00  0.00           C  
HETATM   27  H   UNL     1       5.464  -1.306   0.785  1.00  0.00           H  
HETATM   28  H   UNL     1       5.246  -1.609  -0.955  1.00  0.00           H  
HETATM   29  H   UNL     1       4.355   0.898   0.541  1.00  0.00           H  
HETATM   30  H   UNL     1       4.137   0.596  -1.199  1.00  0.00           H  
HETATM   31  H   UNL     1       2.770  -1.407  -0.679  1.00  0.00           H  
HETATM   32  H   UNL     1       2.989  -1.105   1.061  1.00  0.00           H  
HETATM   33  H   UNL     1       1.715   0.863  -0.892  1.00  0.00           H  
HETATM   34  H   UNL     1       0.449  -1.334  -0.412  1.00  0.00           H  
HETATM   35  H   UNL     1       0.327  -0.764   1.270  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.713  -0.680   0.857  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.413  -1.256  -0.800  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.790   1.362  -0.047  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.490   0.786  -1.705  1.00  0.00           H  
HETATM   40  HA  UNL     1      -4.839  -1.268  -1.183  1.00  0.00           H  
HETATM   41  HXT UNL     1       8.775  -2.348  -1.745  1.00  0.00           H  
HETATM   42  HA  UNL     1       6.578   0.466  -1.434  1.00  0.00           H  
HETATM   43  H1  UNL     1       6.220   1.583   0.640  1.00  0.00           H  
HETATM   44  H2  UNL     1       7.046   0.407   1.476  1.00  0.00           H  
HETATM   45  H   UNL     1       1.080   2.885   2.101  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.219   1.571   1.718  1.00  0.00           H  
HETATM   47  HXT UNL     1      -6.766   1.360  -2.866  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.975  -0.082   1.482  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.316  -1.562   2.768  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.497  -3.134   2.607  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.581  -1.704   3.141  1.00  0.00           H  
CONECT    1    2   16   27   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    2    4   31   32                                       
CONECT    4    3    5    6   33                                       
CONECT    5    4    9    9   18                                       
CONECT    6    4   19   34   35                                       
CONECT    7    8   19   36   37                                       
CONECT    8    7   11   38   39                                       
CONECT    9    5    5                                                 
CONECT   10   19   19                                                 
CONECT   11    8   21   24   40                                       
CONECT   12   24   25   25   26                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   15   16                                       
CONECT   15   14   41                                                 
CONECT   16    1   14   17   42                                       
CONECT   17   16   43   44                                            
CONECT   18    5   45                                                 
CONECT   19    6    7   10   10                                       
CONECT   19   20                                                      
CONECT   20   19   46                                                 
CONECT   21   11   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   47                                                 
CONECT   24   11   12   48                                            
CONECT   25   12   12                                                 
CONECT   26   12   49   50   51                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
