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view test-data/urea.pdb @ 1:ddb1ae2cf028 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit b1b74e91a242f2de250761a79b17d77e68b1045f"
author chemteam
date Fri, 30 Aug 2019 15:02:54 -0400
parents 0b8a0ce446f5
children
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HEADER
HETATM    1  C     2    2        0.000   0.000   1.400
HETATM    2  N     2    2       -1.256   0.000   2.125
HETATM    3  O     2    2        0.000   0.000   0.000
HETATM    4  N     2    2        1.256   0.000   2.125
HETATM    5  H     2    2        1.072   0.000   3.116
HETATM    6  H     2    2        2.252   0.000   1.968
HETATM    7  H     2    2       -1.072   0.000   3.116
HETATM    8  H     2    2       -2.252   0.000   1.968