Mercurial > repos > recetox > qcxms_getres
view test-data/TMP.1_start_xyz.txt @ 1:af8839475b43 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 55c0154b9b6d7f97eefebf92d43bd0c5442247a6
author | recetox |
---|---|
date | Tue, 21 May 2024 11:48:35 +0000 |
parents | ef51824f6d04 |
children |
line wrap: on
line source
6 6325 C -0.59857822001968 -0.02215985716365 0.13568410610374 C 0.61205863904343 -0.05505705225983 -0.22393772541246 H -1.05122375889205 0.99067995917981 0.32453382107060 H -1.32624440512690 -0.87343794346470 0.13238115658175 H 1.30113828028591 0.80217555351015 -0.27588079204055 H 1.17175212384004 -1.04560876534258 -0.26477384393492