COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.798   0.686   0.600  1.00  0.00           O  
HETATM    2  C   UNL     1       3.284   0.109  -0.602  1.00  0.00           C  
HETATM    3  C   UNL     1       2.751  -1.295  -0.307  1.00  0.00           C  
HETATM    4  O   UNL     1       1.597  -1.229   0.558  1.00  0.00           O  
HETATM    5  C   UNL     1       2.198  -1.951  -1.598  1.00  0.00           C  
HETATM    6  O   UNL     1       3.240  -2.607  -2.323  1.00  0.00           O  
HETATM    7  C   UNL     1       1.188  -2.978  -1.032  1.00  0.00           C  
HETATM    8  O   UNL     1       1.779  -4.278  -0.967  1.00  0.00           O  
HETATM    9  C   UNL     1       0.870  -2.456   0.382  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.609  -2.199   0.513  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.353  -2.912   1.386  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.695  -2.666   1.492  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.280  -1.720   0.735  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.562  -0.994  -0.142  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.237  -1.202  -0.272  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.745   3.779  -0.389  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.502  -3.441   2.438  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.307   2.105  -1.205  1.00  0.00           N  
HETATM   19  O   UNL     1      -4.474  -1.518   0.846  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.586  -0.542  -1.062  1.00  0.00           O  
HETATM   21  O   UNL     1       5.532   2.264  -0.335  1.00  0.00           O  
HETATM   22  O   UNL     1       3.306   3.254   0.328  1.00  0.00           O  
HETATM   23  P   UNL     1       4.440   2.161   0.660  1.00  0.00           P  
HETATM   24  C   UNL     1      -3.224   0.030  -0.955  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.192   1.368  -0.213  1.00  0.00           C  
HETATM   26  CA  UNL     1      -3.883   2.437  -1.062  1.00  0.00           C  
HETATM   27  OXT UNL     1      -2.602   4.473  -0.504  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.663   4.229   0.254  1.00  0.00           O  
HETATM   29  H   UNL     1       2.476   0.731  -0.987  1.00  0.00           H  
HETATM   30  H   UNL     1       4.080   0.047  -1.345  1.00  0.00           H  
HETATM   31  H   UNL     1       3.529  -1.914   0.138  1.00  0.00           H  
HETATM   32  H   UNL     1       1.694  -1.214  -2.224  1.00  0.00           H  
HETATM   33  H   UNL     1       2.943  -3.033  -3.139  1.00  0.00           H  
HETATM   34  H   UNL     1       0.285  -3.001  -1.642  1.00  0.00           H  
HETATM   35  H   UNL     1       2.051  -4.629  -1.826  1.00  0.00           H  
HETATM   36  H   UNL     1       1.189  -3.185   1.127  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.891  -3.674   1.996  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.516  -2.934   3.403  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.520  -3.529   2.059  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.070  -4.434   2.556  1.00  0.00           H  
HETATM   41  H1  UNL     1      -5.427   1.241  -1.711  1.00  0.00           H  
HETATM   42  H2  UNL     1      -5.760   2.064  -0.305  1.00  0.00           H  
HETATM   43  H   UNL     1       2.559   3.244   0.941  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.703   0.130  -1.907  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.258  -0.262  -1.135  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.713   1.267   0.739  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.158   1.659  -0.033  1.00  0.00           H  
HETATM   48  HA  UNL     1      -3.418   2.476  -2.047  1.00  0.00           H  
HETATM   49  HXT UNL     1      -2.561   5.328  -0.054  1.00  0.00           H  
HETATM   50  O   UNL     1       5.030   2.429   2.133  1.00  0.00           O  
HETATM   51  H   UNL     1       5.434   3.301   2.242  1.00  0.00           H  
CONECT    1   23    2                                                 
CONECT    2    1    3   29   30                                       
CONECT    3    2    4    5   31                                       
CONECT    4    3    9                                                 
CONECT    5    3    6    7   32                                       
CONECT    6    5   33                                                 
CONECT    7    5    9    8   34                                       
CONECT    8    7   35                                                 
CONECT    9    4    7   10   36                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   37                                       
CONECT   12   11   17   13                                            
CONECT   13   12   14   19   19                                       
CONECT   14   15   13   24                                            
CONECT   15   10   20   20   14                                       
CONECT   16   28   28   27   26                                       
CONECT   17   12   38   39   40                                       
CONECT   18   26   41   42                                            
CONECT   19   13   13                                                 
CONECT   20   15   15                                                 
CONECT   21   23   23                                                 
CONECT   22   23   43                                                 
CONECT   23   21   21    1   22                                       
CONECT   23   50                                                      
CONECT   24   14   25   44   45                                       
CONECT   25   24   26   46   47                                       
CONECT   26   25   16   18   48                                       
CONECT   27   16   49                                                 
CONECT   28   16   16                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   23   51                                                 
CONECT   51   50                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
