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0.1026 -0.0717 0.0239 -0.1665 -0.0537 -0.1296 0.6385 0.0498 0.2128 -1.4974 -1.5578 -2.4187 0.1072 -0.0795 -0.0464 -0.14 0.1889 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0173775A00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 108.1665 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 50.773 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10299344 5 18342459239858246250 10533779 47 16128389150521823582 10625338 86 14189575204550299307 11386260 185 16515691082255800092 11409948 41 14924493136965344514 11456790 92 17132120156413504667 12013929 2 18411417285997858257 12089408 11 18202284732175374729 12166972 35 18411138060956906409 12522641 24 18131069390036290768 12592606 108 18411980260539408847 13248334 5 18049723215629158301 13553643 46 11959730456033958851 13617811 41 16660363671709166662 13673619 4 18335138670472670628 13685833 64 18408323280591544592 13740195 50 10663814214251945861 13947934 56 18409165481578560461 14118638 360 15792002338374193369 14150022 121 16916795037709456513 14251764 18 18413672413250473021 14344974 52 9367338225043693361 15183329 4 18259701177373948370 15198563 99 16298945347462632596 15247644 1 17095239207861078274 15461852 350 13262404375724117169 15510794 2 18335137575292478653 155225 1 9871753490642842995 15690457 1 18412542119576457231 16728433 281 14708302771203327079 1754911 235 11025798699605136571 1818759 1 18259707804898966883 19301679 30 17345765071084899588 20105231 36 18202289061908968510 2026 5 18336544911063117842 21150785 3 13406794432937711921 21267235 1 18407760330796482701 21315763 28 18412262830864921560 21895431 317 18336257955761138818 232437 2 18411419501604968290 23576562 1 14490772216202826983 246663 6 18040719164483711409 249057 3 15719399455409658535 3004659 81 18260265223277382704 3178227 256 17132112446878622544 33532 11 18410854356390346386 335507 130 18343017792081830414 3383291 50 18041283240278280051 3711267 37 8862664654999685407 4073 2 18187087304078856378 4093350 32 14189304724594765165 439807 62 18410294718326085362 44389302 135 18059572443696650670 5385378 56 13686305651679765780 54039377 194 18335422387891470335 57303763 39 17917146229929063542 5758199 1 11527948958677369709 59520757 100 15864363496711689386 6201320 215 17631740349374145993 636775 72 9367354739056432935 636775 8 16443355295460981059 6691757 9 15985092012704563189 67123 10 18411138039328250894 9831232 110 18269278963530082230 9953998 17 13614517472671731493 9962374 69 18339354261923607119 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 598.66 34.23 2.43 0.83 23.58 0.1 0.05 -21.74 -3.2 -1.73 0.33 0.8 0.15 -0.24 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1302.233 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 325.1 Conformer RMSD 7 2009.12.11 1 Diverse Conformer ID List 6 2012.02.08 1 21 44 69 109 57 102 103 91 95 70 32 110 89 31 68 106 53 46 6 86 58 62 39 37 76 45 90 83 84 85 28 77 54 63 65 87 10 12 72 56 42 15 82 101 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