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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28.3600 28.3600 29.0700 -145.3400 0.2300 0.4800 19.2400 19.2400 -19.9500 0.0000 0.0000 154.8000 1.4200 0.2300 0.4800 -11.6900 -11.6900 0.2800 32.3300 0.0000 -56.4200 47.5700 47.5700 -48.5200 0.0000 0.0000 0.0000 0.0000 0.4800 -17.7502 1.1082 1.0163 -19.8748 0.0000 0.0000 -72.8916 -97.5902 2.2174 13.9190 10.0552 -1.1522 -0.3408 0.0000 0.0000 -9.9487 -15.1153 0.2807 2.7572 2.7209 -0.1984 -0.3938 -43.2239 -39.1308 -0.1980 0.0000 -3.8950 -443.1301 C00138029 0 19 -29.9800 -114.0000 -35.3394 -34.9828 -0.3566 -32.3519 -31.9886 -0.3634 16.3750 -27.0352 -34.9692 -2.8807 15.4338 -4.6191 -42.2288 -31.9886 6.5012 -16.7415 12.4900 61.8000 494.7600 12.3700 49.1100 397.0000 12.9800 12.6900 97.7600 0.0000 0.0000 0.0000 21.3300 21.3300 26.8200 -134.1100 0.9800 4.5200 13.6400 13.6400 -19.1300 0.0700 0.0000 114.7900 0.0000 0.9800 4.5200 43.7000 43.7000 0.1700 34.4200 0.0000 -3.8000 44.9400 44.9400 -45.8100 0.4600 0.0000 0.0000 1.4900 0.3800 -12.0513 0.9080 2.1503 -13.7135 0.0000 -1.3962 -64.7870 -83.7001 2.0869 7.7513 10.5568 -1.0603 -0.4216 0.0000 0.0000 -8.7534 -12.9639 0.2642 1.5355 2.8566 -0.1826 -0.2632 -44.0202 -35.4991 -2.9838 0.0000 -5.5374 -360.2562 C00149402 0 23 -38.0400 -131.0000 -9.3552 -3.9441 -5.4111 6.4054 11.8651 -5.4597 43.1897 -0.2178 -3.9439 -25.3366 33.6499 -4.5872 6.8785 11.8651 11.7590 -16.7456 24.5600 128.2900 522.4400 28.4200 100.0700 352.0600 16.5700 28.2200 170.3800 0.0000 0.0000 0.0000 15.1100 15.1100 25.7800 -128.9200 2.4800 8.2000 9.8100 9.8100 -20.4800 1.4500 0.0000 108.6100 1.0000 2.4800 8.2000 25.8800 25.8800 3.0000 25.1000 0.0000 -11.6300 21.2000 21.2000 -39.3800 1.6400 0.0000 0.0000 22.3400 0.3800 -12.8837 0.3714 2.2894 -10.8720 0.0000 -4.6725 -42.3917 -73.3414 2.4858 23.7457 6.2270 -0.7624 -0.3311 -0.4152 0.0000 -5.4391 -11.3595 0.3147 4.7038 1.6850 -0.1313 -0.6519 -42.7428 -31.6018 -11.1410 0.0000 0.0000 -343.5186 C00463558 0 24 -38.1400 -141.0000 -26.1826 -24.3534 -1.8292 -16.8694 -15.0067 -1.8627 21.6088 -13.0913 -24.3468 -10.2081 26.3760 -4.9124 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