Mercurial > repos > recetox > qcxms_getres

view test-data/TMP.1_start_xyz.txt @ 3:89b026d67e9f draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 5a088c3d758c9a1dbd119dad55ecffa173139a40
author recetox
date Thu, 17 Oct 2024 06:17:37 +0000
parents ef51824f6d04
children
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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