Mercurial > repos > bgruening > chembl_structure_pipeline
diff test-data/o_molblock.mol @ 0:2f59c6239f25 draft default tip
"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e-dirty"
| author | bgruening |
|---|---|
| date | Sat, 10 Oct 2020 09:43:40 +0000 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/o_molblock.mol Sat Oct 10 09:43:40 2020 +0000 @@ -0,0 +1,13 @@ + + Mrv1810 07121910172D + + 4 3 0 0 0 0 999 V2000 + -2.5038 0.4060 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 + -2.5038 1.2310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 + -3.2182 -0.0065 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 + -1.7893 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 3 1 0 0 0 0 + 1 4 1 4 0 0 0 +M CHG 2 2 -1 3 1 +M END