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/tests/data/pdb/1lpi_ligand.sdf
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--- a +++ b/tests/data/pdb/1lpi_ligand.sdf @@ -0,0 +1,7 @@ + + RDKit 3D + + 1 0 0 0 0 0 0 0 0 0999 V2000 + -2.6270 29.9940 4.2250 Na 0 0 0 0 0 15 0 0 0 0 0 0 +M CHG 1 1 1 +M END