MolName Class NumHeavy Dock35 D6Contact D6Continuous D6ContinuousVDW D6ContinuousES D6Grid D6GridVDW D6GridES D6GridInt D6Hawkins D6HawkinsVDW D6HawkinsES D6HawkinsGB D6HawkinsSA D6Pbsa D6PbsaVDW D6PbsaPB D6PbsaSA D6SASA D6SASAComLigTot D6SASALigTot D6SASAPercPhobicExpo D6SASAComPhobic D6SASAPhobic D6SASAPercPhilicExpo D6SASAComPhilic D6SASAPhilic D6SASAPercOtherExpo D6SASAComOther D6SASAOther GASP GASPNoSimplex GASPASP GASPS GASPDEClash GASPDeInt GChemscore GCSNoSimplex GCSDG GCSSHB GCSSMetal GCSSLipo GCSHRot GCSDeClash GCSDeInt GGoldscore GGSNoSimplex GGSSHBExt GGSSVDWExt GGSSHBInt GGSSInt GPlp GPLPNoSimplex GPLPSPLP GPLPSHB GPLPSCHO GPLPSMetal GPLPDEClash GPLPDETors OEChemScore OECSRB OECSClash OECSLipo OECSMetal OECSHB OEChemgauss3 OECCG3Steric OECCG3Clash OECCG3ProDesolv OECCG3LigDesolv OECCG3LigDesolvHB OECCG3ACC OECCG3Don OECCG3Metal OEChemgauss4 OECCG4Steric OECCG4Clash OECCG4ProDesolv OECCG4LigDesolv OECCG4LigDesolvHB OECCG4HB OEPLP OEPLPNonPolar OEPLPHB OEPLPMetal 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24.1500 24.1500 25.8600 -129.2900 0.5800 1.1200 10.3700 10.3700 -12.0700 0.0900 0.0000 107.4400 2.4500 0.5800 1.1200 28.6800 28.6800 4.2300 24.6300 0.0000 -9.4200 31.5000 31.5000 -31.5500 0.7300 0.0000 0.0000 0.0000 1.1200 -8.3187 5.1095 1.1554 -11.4074 0.0000 -3.1762 -43.0661 -62.2439 2.0063 7.0013 11.2855 -1.1076 -0.0076 0.0000 0.0000 -5.2574 -9.6406 0.2540 1.3869 3.0538 -0.1908 -0.1206 -31.3732 -27.2759 -4.0973 0.0000 0.0000 -292.6930 C00457669 0 19 -25.3100 -103.0000 -28.9980 -26.9342 -2.0638 -26.6425 -24.5807 -2.0618 286.2692 -15.8268 -26.9352 -34.4710 50.0464 -4.4671 -32.8853 -24.5807 7.2929 -15.5975 15.9700 76.1400 476.7100 16.8400 66.9400 397.5100 11.6200 9.2000 79.1900 0.0000 0.0000 0.0000 19.4100 19.4100 23.0100 -115.0700 1.1000 2.5000 12.0200 12.0200 -15.6300 0.0000 0.0000 108.6000 1.0000 1.1000 2.5000 33.6900 33.6900 0.3000 28.3700 0.0000 -5.6200 29.9000 29.9000 -33.6500 0.0000 0.0000 0.0000 0.0000 1.8700 -10.0999 1.0635 1.3928 -12.5562 0.0000 0.0000 -38.2025 -53.0118 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