view test-data/NUDT5A-x0114_2.pdb @ 3:908880455b2d draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit deb7ad38cefd13df312431b1138054a68381efdf"
author bgruening
date Fri, 18 Oct 2019 04:57:34 -0400
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COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1     -29.721   5.108 -63.944  1.00  0.00           N  
HETATM    2  C   UNL     1     -32.120   1.420 -65.738  1.00  0.00           C  
HETATM    3  O   UNL     1     -32.355   4.272 -63.447  1.00  0.00           O  
HETATM    4  C   UNL     1     -32.145   2.919 -65.424  1.00  0.00           C  
HETATM    5  C   UNL     1     -33.561   3.568 -65.380  1.00  0.00           C  
HETATM    6  C   UNL     1     -33.409   4.678 -64.325  1.00  0.00           C  
HETATM    7  C   UNL     1     -31.530   3.284 -64.039  1.00  0.00           C  
HETATM    8  C   UNL     1     -30.064   3.756 -64.270  1.00  0.00           C  
HETATM    9  C   UNL     1     -28.471   5.730 -64.091  1.00  0.00           C  
HETATM   10  C   UNL     1     -28.109   7.031 -63.742  1.00  0.00           C  
HETATM   11  N   UNL     1     -26.749   7.308 -64.048  1.00  0.00           N  
HETATM   12  N   UNL     1     -26.118   6.375 -64.573  1.00  0.00           N  
HETATM   13  O   UNL     1     -29.256   2.940 -64.704  1.00  0.00           O  
HETATM   14  S   UNL     1     -27.062   4.923 -64.809  1.00  0.00           S  
CONECT    1    8    9                                                 
CONECT    2    4                                                      
CONECT    3    6    7                                                 
CONECT    4    2    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    3    5                                                 
CONECT    7    3    4    8                                            
CONECT    8    1    7   13                                            
CONECT    9    1   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   14                                                 
CONECT   13    8                                                      
CONECT   14    9   12                                                 
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END