Mercurial > repos > bgruening > sucos_max_score
view test-data/cluster6.sdf @ 5:d4c67ced6abc draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit c35334ca80c87a5078da1a6df85b34e23b80d837"
author | bgruening |
---|---|
date | Wed, 15 Apr 2020 09:26:07 -0400 |
parents | bb5365381c8f |
children |
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RDKit 3D 8 8 0 0 0 0 0 0 0 0999 V2000 43.2120 1.2010 21.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 42.0970 1.7030 22.0340 C 0 0 2 0 0 0 0 0 0 0 0 0 41.2120 2.6840 21.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4260 2.9540 20.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6930 2.1910 23.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2130 1.9390 23.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4930 1.6950 21.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1570 3.2440 21.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 2 3 1 6 4 3 2 0 5 2 1 0 6 5 1 0 7 1 1 0 7 6 1 0 8 3 1 0 M END $$$$