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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25.9700 -129.8400 16.0100 6.4400 11.0700 11.0700 -33.5200 0.0000 0.0000 270.3300 1.4000 16.0100 6.4400 19.4100 19.4100 0.0000 22.1700 0.0000 -11.0700 17.3000 17.3000 -25.4100 0.0000 0.0000 0.0000 2.8600 2.6200 -4.5418 1.9051 21.7480 -28.1949 0.0000 0.0000 -42.6023 -62.4910 7.2244 8.5441 8.6984 -2.0070 -2.5712 0.0000 0.0000 -5.5908 -9.6789 0.9146 1.6925 2.3537 -0.3457 -0.5271 -21.9291 -36.1344 14.2052 0.0000 0.0000 -393.0581 C00671074 0 25 -6.5900 -81.0000 116.1480 118.2327 -2.0847 247.1462 249.2516 -2.1054 18.4847 141.1103 118.2498 26.3175 2.0442 -5.5012 239.7802 249.2516 11.3771 -20.8485 15.7100 99.8200 635.6000 16.6000 88.2900 531.7600 11.3200 11.5300 101.8300 0.0000 0.0000 2.0100 8.0800 8.0800 18.8000 -93.9800 4.8200 5.9000 11.3500 11.3500 -22.0600 0.0000 0.0000 163.6200 1.0000 4.8200 5.9000 35.5800 35.5800 0.0000 31.7900 0.0000 -8.1200 40.0100 40.0100 -44.1200 0.0000 0.0000 0.0000 0.0000 2.0600 -11.9103 1.5703 5.8074 -19.2880 0.0000 0.0000 -54.3999 -76.1516 3.6571 11.0729 7.1554 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C01197623 0 29 -30.9400 -142.0000 -2.0243 -0.5497 -1.4746 15.9933 17.4660 -1.4728 8.5763 17.3992 -0.5501 -15.4633 38.6169 -5.2044 5.9394 17.4660 7.8098 -19.3365 26.9500 175.4900 651.1000 20.1300 114.2500 567.4900 72.5800 59.2300 81.6000 100.0000 2.0100 2.0100 25.0400 25.0400 28.5300 -142.6500 0.8400 2.6500 28.4900 28.4900 -31.9800 0.0000 0.0000 226.5100 0.0000 0.8400 2.6500 41.1800 41.1800 0.0000 33.5600 0.0000 -4.9700 49.3800 49.3800 -54.6700 0.0000 0.0000 0.0000 0.0000 2.6500 -21.1522 0.6233 1.6232 -23.3987 0.0000 0.0000 -50.9307 -68.7165 3.3226 11.5273 2.9359 0.0000 0.0000 0.0000 0.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 2.2835 0.7944 0.0000 0.0000 340282346638528859811704183484516925440.0000 -54.4859 340282346638528859811704183484516925440.0000 0.0000 0.0000 340282346638528859811704183484516925440.0000 C01240020 0 35 -27.5700 -144.0000 -38.7973 -36.7000 -2.0973 -32.1343 -30.0023 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