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
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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