Datasets:

PDBbind_test / 6d40 /6d40_input_conf_2.sdf
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Add batch 3
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6d40_ligand
RDKit 3D
216223 0 0 0 0 0 0 0 0999 V2000
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M CHG 3 14 1 42 1 109 -1
M END
> <_TriposChargeType> (1)
GAST_HUCK
$$$$