added	tests/data/dude/xiap/actives_docked.sdf
added	tests/data/dude/xiap/actives_rdkit.sdf
added	tests/data/dude/xiap/actives_rdkit.smi
added	tests/data/dude/xiap/crystal_ligand.sdf
added	tests/data/dude/xiap/receptor_rdkit.pdb
added	tests/data/pdb/1bpx_missingBase.pdb
added	tests/data/pdb/1cos_helix.pdb
added	tests/data/pdb/1dy3_2LIG.pdb
added	tests/data/pdb/1icl_sheet.pdb
added	tests/data/pdb/1idg_connectivity.pdb
added	tests/data/pdb/1lpi_ligand.sdf
added	tests/data/pdb/1lpi_pocket.pdb
added	tests/data/pdb/1ps3_zn.pdb
added	tests/data/pdb/2c92_hypervalentH.pdb
added	tests/data/pdb/2qwe_Sbridge.pdb
added	tests/data/pdb/2vnf_bindedHOH.pdb
added	tests/data/pdb/2wb5_GLN.pdb
added	tests/data/pdb/3cx9_TYR.pdb
added	tests/data/pdb/3kwa_5Apocket.pdb
added	tests/data/pdb/3kwa_ligand.sdf
added	tests/data/pdb/3rsb_bondtype.pdb
added	tests/data/pdb/4bfq_ligand.sdf
added	tests/data/pdb/4bfq_pocket.pdb
added	tests/data/pdb/4e6d_residues.pdb
added	tests/data/pdb/4lb3_ligand.sdf