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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20.7500 20.7900 -103.9600 0.0400 0.0000 22.7600 22.7600 -22.8000 0.0000 0.0000 169.9200 1.0000 0.0400 0.0000 44.8000 44.8000 0.0000 32.5600 0.0000 0.0300 44.9400 44.9400 -44.9400 0.0000 0.0000 0.0000 0.0000 0.0000 -17.7382 0.0000 0.0000 -17.7382 0.0000 0.0000 -77.0361 -93.4412 2.1420 12.2961 1.9670 0.0000 0.0000 0.0000 0.0000 -11.2334 -14.4726 0.2712 2.4358 0.5323 0.0000 0.0000 -43.6068 -39.8255 -3.7813 0.0000 0.0000 -421.9354 C00244042 0 20 -32.5900 -96.0000 -31.7381 -25.6968 -6.0413 -26.6325 -20.5197 -6.1128 3.2075 -8.8135 -25.6965 -32.9389 54.5938 -4.7719 56.4798 -20.5197 94.9475 -17.9481 15.9200 83.2800 522.9900 13.5700 53.3100 392.9500 23.0500 29.9700 130.0300 0.0000 0.0000 0.0000 19.4800 19.4800 19.6700 -98.3500 0.0000 0.1900 18.6000 18.6000 -18.7900 1.1800 0.0000 115.5800 1.6200 0.0000 0.1900 40.6500 40.6500 5.9300 27.8400 0.0000 -3.5600 47.7300 47.7300 -44.2400 1.2900 0.0000 0.0000 0.0000 0.1900 -19.3083 0.0000 0.0000 -13.9916 0.0000 -5.3167 -61.3918 -78.0405 1.2559 13.8037 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