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K84

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21CAVsing1.51Å1.39Å
C21H21sing1.08Å1.08Å
C22C21doub1.31Å1.39Å
C22H22sing1.08Å1.08Å
C23C22sing1.51Å1.39Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C24C23sing1.53Å1.53Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C25C24sing1.53Å1.53Å
C25C26sing1.53Å1.53Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27C26sing1.53Å1.53Å
C27C28sing1.53Å1.53Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C28C29sing1.53Å1.53Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C30C29sing1.53Å1.53Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C30H30Bsing1.09Å1.10Å
OAACAZdoub1.21Å1.42Å
CADCAGdoub1.39Å1.39ÅAromatic
CADCAHsing1.39Å1.39ÅAromatic
CADHADsing1.08Å1.08Å
CAGCAKsing1.38Å1.39ÅAromatic
CAGHAGsing1.08Å1.08Å
CAHNASdoub1.32Å1.32ÅAromatic
CAHHAHsing1.08Å1.08Å
CAKCAWdoub1.39Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
NALNATsing1.29Å1.24ÅAromatic
CAMHAMsing1.09Å1.10Å
CAMHAMAsing1.09Å1.10Å
CANCAMsing1.53Å1.52Å
CANCAPsing1.53Å1.53Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CAOCAMsing1.53Å1.54Å
CAOCAQsing1.53Å1.53Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CARCAPsing1.53Å1.53Å
CARCAZsing1.51Å1.53Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
NASCAWsing1.33Å1.34ÅAromatic
OAUCAYsing1.35Å1.36ÅAromatic
CAVCAQsing1.53Å1.54Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CAWCAXsing1.48Å1.39ÅAromatic
CAXNALdoub1.32Å1.33ÅAromatic
CAXOAUsing1.34Å1.36ÅAromatic
CAYNATdoub1.32Å1.33ÅAromatic
CAYCAZsing1.47Å1.53Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAVC21H21114.2°120.0°
CAVC21C22131.7°120.0°
C21CAVCAQ111.4°109.5°
C21CAVHAV108.8°109.5°
C21CAVHAVA108.9°109.4°
H21C21C22114.2°120.0°
C21C22H22115.8°120.0°
C21C22C23128.3°120.0°
H22C22C23115.9°120.0°
C22C23H23110.1°109.5°
C22C23H23A110.1°109.5°
C22C23C24107.6°109.4°
H23C23H23A108.8°109.5°
H23C23C24110.1°109.4°
H23AC23C24110.1°109.5°
C23C24H24108.5°109.5°
C23C24H24A108.5°109.5°
C23C24C25112.6°109.5°
H24C24H24A110.5°109.5°
H24C24C25108.4°109.4°
H24AC24C25108.4°109.5°
C24C25C26110.4°109.5°
C24C25H25109.1°109.5°
C24C25H25A109.2°109.5°
C26C25H25109.2°109.4°
C26C25H25A109.1°109.4°
C25C26H26108.8°109.5°
C25C26H26A108.9°109.5°
C25C26C27111.3°109.5°
H25C25H25A109.8°109.4°
H26C26H26A110.1°109.4°
H26C26C27108.9°109.5°
H26AC26C27108.8°109.4°
C26C27C28110.4°109.5°
C26C27H27109.2°109.5°
C26C27H27A109.2°109.4°
C28C27H27109.1°109.5°
C28C27H27A109.1°109.5°
C27C28C29112.7°109.5°
C27C28H28108.4°109.5°
C27C28H28A108.4°109.5°
H27C27H27A109.8°109.5°
C29C28H28108.4°109.5°
C29C28H28A108.4°109.5°
C28C29H29108.6°109.5°
C28C29H29A108.6°109.5°
C28C29C30112.0°109.5°
H28C28H28A110.5°109.5°
H29C29H29A110.3°109.4°
H29C29C30108.6°109.5°
H29AC29C30108.7°109.5°
C29C30H30109.5°109.5°
C29C30H30A109.4°109.5°
C29C30H30B109.5°109.5°
H30C30H30A109.5°109.5°
H30C30H30B109.5°109.5°
H30AC30H30B109.5°109.5°
OAACAZCAR105.6°120.0°
OAACAZCAY106.8°120.0°
CAGCADCAH119.3°119.4°
CAGCADHAD120.4°120.3°
CADCAGCAK119.0°118.5°
CADCAGHAG120.5°120.7°
CAHCADHAD120.3°120.3°
CADCAHNAS120.4°120.9°
CADCAHHAH119.8°119.5°
CAKCAGHAG120.5°120.8°
CAGCAKCAW118.9°119.1°
CAGCAKHAK120.5°120.5°
NASCAHHAH119.8°119.6°
CAHNASCAW122.1°121.6°
CAWCAKHAK120.6°120.5°
CAKCAWNAS120.3°120.5°
CAKCAWCAX121.9°119.8°
NATNALCAX110.2°109.3°
NALNATCAY108.7°109.3°
HAMCAMHAMA108.5°109.5°
HAMCAMCAN110.5°109.5°
HAMCAMCAO110.4°109.5°
HAMACAMCAN110.5°109.4°
HAMACAMCAO110.4°109.5°
CAMCANCAP119.3°109.5°
CAMCANHAN106.3°109.4°
CAMCANHANA106.3°109.5°
CANCAMCAO106.6°109.5°
CAPCANHAN106.4°109.5°
CAPCANHANA106.3°109.5°
CANCAPHAP108.7°109.5°
CANCAPHAPA108.7°109.5°
CANCAPCAR111.8°109.5°
HANCANHANA112.4°109.4°
CAMCAOCAQ112.6°109.5°
CAMCAOHAO108.5°109.5°
CAMCAOHAOA108.5°109.5°
CAQCAOHAO108.5°109.4°
CAQCAOHAOA108.5°109.5°
CAOCAQHAQ108.0°109.4°
CAOCAQHAQA108.1°109.5°
CAOCAQCAV113.8°109.5°
HAOCAOHAOA110.4°109.5°
HAPCAPHAPA110.3°109.5°
HAPCAPCAR108.7°109.4°
HAPACAPCAR108.7°109.5°
HAQCAQHAQA110.9°109.4°
HAQCAQCAV108.0°109.5°
HAQACAQCAV108.0°109.5°
CAPCARCAZ108.6°109.4°
CAPCARHAR109.7°109.5°
CAPCARHARA109.8°109.5°
CAZCARHAR109.8°109.5°
CAZCARHARA109.7°109.5°
CARCAZCAY110.8°120.0°
HARCARHARA109.2°109.5°
NASCAWCAX117.8°119.7°
CAYOAUCAX102.5°106.5°
OAUCAYNAT109.8°107.4°
OAUCAYCAZ124.3°126.3°
CAQCAVHAV108.9°109.5°
CAQCAVHAVA108.9°109.5°
HAVCAVHAVA110.1°109.5°
CAWCAXNAL127.1°126.2°
CAWCAXOAU124.1°126.3°
NALCAXOAU108.8°107.5°
NATCAYCAZ125.7°126.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAVC21H21C22180.0°179.8°
CAVC21C22H22180.0°172.5°
CAVC21C22C230.0°7.4°
C21CAVCAQCAO67.2°180.0°
C21CAVCAQHAQ52.8°60.0°
C21CAVCAQHAQA172.8°59.9°
C21CAVCAQHAV120.0°120.0°
C21CAVCAQHAVA120.0°120.0°
C21CAVHAVHAVA119.2°120.0°
H21C21C22H220.0°7.3°
H21C21C22C23180.0°172.8°
H21C21CAVCAQ71.9°52.2°
H21C21CAVHAV168.1°67.8°
H21C21CAVHAVA48.1°172.1°
C21C22H22C23180.0°179.9°
C21C22C23H2338.9°113.6°
C21C22C23H23A81.0°6.4°
C21C22C23C24158.9°126.4°
C22C21CAVCAQ108.1°127.7°
C22C21CAVHAV11.9°112.3°
C22C21CAVHAVA131.9°7.7°
H22C22C23H23141.1°66.3°
H22C22C23H23A99.0°173.7°
H22C22C23C2421.1°53.7°
C22C23H23H23A120.8°120.1°
C22C23H23C24118.5°120.0°
C22C23H23AC24118.5°120.0°
C22C23C24H2458.6°60.0°
C22C23C24H24A61.4°60.0°
C22C23C24C25178.7°180.0°
H23C23H23AC24120.8°120.0°
H23C23C24H24178.7°179.9°
H23C23C24H24A58.6°60.0°
H23C23C24C2561.3°60.0°
H23AC23C24H2461.4°60.0°
H23AC23C24H24A178.6°180.0°
H23AC23C24C2558.6°60.0°
C23C24H24H24A118.8°120.0°
C23C24H24C25122.5°119.9°
C23C24H24AC25122.5°120.0°
C23C24C25C2658.5°180.0°
C23C24C25H2561.5°60.0°
C23C24C25H25A178.5°60.0°
H24C24H24AC25118.7°120.0°
H24C24C25C26178.5°60.0°
H24C24C25H2558.5°180.0°
H24C24C25H25A61.4°60.0°
H24AC24C25C2661.5°60.0°
H24AC24C25H25178.5°60.0°
H24AC24C25H25A58.5°180.0°
C24C25C26H25120.0°120.0°
C24C25C26H25A120.0°120.1°
C24C25H25H25A119.6°120.1°
C24C25C26H2659.2°60.0°
C24C25C26H26A60.8°60.0°
C24C25C26C27179.2°180.0°
C26C25H25H25A119.6°119.9°
C25C26H26H26A119.3°120.0°
C25C26H26C27121.5°120.1°
C25C26H26AC27121.5°120.0°
C25C26C27C28178.3°180.0°
C25C26C27H2758.3°60.0°
C25C26C27H27A61.7°60.0°
H25C25C26H26179.2°180.0°
H25C25C26H26A59.2°60.0°
H25C25C26C2760.8°60.0°
H25AC25C26H2660.8°60.1°
H25AC25C26H26A179.2°180.0°
H25AC25C26C2759.2°60.0°
H26C26H26AC27119.3°120.0°
H26C26C27C2861.7°59.9°
H26C26C27H27178.3°179.9°
H26C26C27H27A58.3°60.1°
H26AC26C27C2858.3°60.0°
H26AC26C27H2761.7°60.0°
H26AC26C27H27A178.3°180.0°
C26C27C28H27120.0°120.0°
C26C27C28H27A120.0°120.0°
C26C27H27H27A119.6°120.0°
C26C27C28C2959.4°180.0°
C26C27C28H2860.6°60.0°
C26C27C28H28A179.4°60.0°
C28C27H27H27A119.6°120.0°
C27C28C29H28120.0°120.0°
C27C28C29H28A120.0°120.0°
C27C28H28H28A118.7°120.0°
C27C28C29H2959.6°60.0°
C27C28C29H29A179.5°59.9°
C27C28C29C3060.4°180.0°
H27C27C28C29179.4°60.1°
H27C27C28H2859.4°180.0°
H27C27C28H28A60.6°60.0°
H27AC27C28C2960.6°60.0°
H27AC27C28H28179.4°60.0°
H27AC27C28H28A59.4°180.0°
C29C28H28H28A118.7°120.0°
C28C29H29H29A118.9°120.0°
C28C29H29C30122.1°120.0°
C28C29H29AC30122.1°120.1°
C28C29C30H30180.0°60.1°
C28C29C30H30A60.0°60.0°
C28C29C30H30B60.0°180.0°
H28C28C29H2960.4°179.9°
H28C28C29H29A59.5°60.1°
H28C28C29C30179.6°60.0°
H28AC28C29H29179.6°60.1°
H28AC28C29H29A60.5°180.0°
H28AC28C29C3059.6°60.0°
H29C29H29AC30119.0°120.0°
H29C29C30H3060.0°179.9°
H29C29C30H30A180.0°60.0°
H29C29C30H30B60.0°60.0°
H29AC29C30H3060.0°60.0°
H29AC29C30H30A60.0°180.0°
H29AC29C30H30B180.0°60.0°
C29C30H30H30A120.0°120.0°
C29C30H30H30B120.0°120.0°
C29C30H30AH30B120.0°120.0°
H30C30H30AH30B120.0°120.0°
OAACAZCARCAP57.4°0.0°
OAACAZCARCAY115.3°179.9°
OAACAZCARHAR177.4°120.0°
OAACAZCARHARA62.7°120.0°
OAACAZCAYOAU95.5°0.0°
OAACAZCAYNAT78.6°180.0°
CAGCADCAHHAD180.0°179.7°
CADCAGCAKHAG180.0°179.9°
CAGCADCAHNAS0.7°0.1°
CAGCADCAHHAH179.3°180.0°
CADCAGCAKCAW0.2°0.0°
CADCAGCAKHAK179.8°180.0°
CAHCADCAGCAK0.0°0.0°
CAHCADCAGHAG180.0°180.0°
CADCAHNASHAH180.0°180.0°
CADCAHNASCAW1.8°0.1°
HADCADCAGCAK180.0°179.8°
HADCADCAGHAG0.0°0.3°
HADCADCAHNAS179.3°179.8°
HADCADCAHHAH0.7°0.3°
CAGCAKCAWHAK180.0°180.0°
CAGCAKCAWNAS1.2°0.1°
CAGCAKCAWCAX179.9°180.0°
HAGCAGCAKCAW179.8°180.0°
HAGCAGCAKHAK0.2°0.0°
CAHNASCAWCAK2.0°0.1°
CAHNASCAWCAX179.3°180.0°
HAHCAHNASCAW178.2°179.9°
CAKCAWNASCAX178.7°179.9°
CAKCAWCAXNAL171.4°0.1°
CAKCAWCAXOAU5.5°180.0°
HAKCAKCAWNAS178.8°179.9°
HAKCAKCAWCAX0.1°0.0°
NALNATCAYOAU1.8°0.0°
NATNALCAXCAW179.3°180.0°
NATNALCAXOAU2.0°0.0°
NALNATCAYCAZ176.5°180.0°
HAMCAMHAMACAN121.2°120.0°
HAMCAMHAMACAO121.1°120.1°
HAMCAMCANCAO120.0°120.0°
HAMCAMCANCAP55.2°60.0°
HAMCAMCANHAN64.8°60.0°
HAMCAMCANHANA175.2°180.0°
HAMCAMCAOCAQ66.6°60.0°
HAMCAMCAOHAO173.3°180.0°
HAMCAMCAOHAOA53.4°60.0°
HAMACAMCANCAO120.0°120.0°
HAMACAMCANCAP64.8°60.0°
HAMACAMCANHAN175.2°180.0°
HAMACAMCANHANA55.2°60.1°
HAMACAMCAOCAQ53.3°60.0°
HAMACAMCAOHAO66.7°60.0°
HAMACAMCAOHAOA173.3°180.0°
CAMCANCAPHAN120.0°119.9°
CAMCANCAPHANA120.0°120.0°
CAMCANHANHANA116.0°120.0°
CANCAMCAOCAQ173.3°180.0°
CANCAMCAOHAO53.3°60.0°
CANCAMCAOHAOA66.7°60.0°
CAMCANCAPHAP174.0°60.1°
CAMCANCAPHAPA54.0°60.0°
CAMCANCAPCAR66.0°180.0°
CAPCANHANHANA116.0°120.1°
CAPCANCAMCAO175.2°180.0°
CANCAPHAPHAPA119.0°120.1°
CANCAPHAPCAR121.9°120.0°
CANCAPHAPACAR121.9°120.0°
CANCAPCARCAZ173.9°179.9°
CANCAPCARHAR66.1°60.1°
CANCAPCARHARA53.9°60.0°
HANCANCAMCAO55.2°60.0°
HANCANCAPHAP66.0°180.0°
HANCANCAPHAPA174.0°60.0°
HANCANCAPCAR54.0°60.1°
HANACANCAMCAO64.8°59.9°
HANACANCAPHAP54.0°60.0°
HANACANCAPHAPA66.0°180.0°
HANACANCAPCAR174.0°60.0°
CAMCAOCAQHAO120.0°120.0°
CAMCAOCAQHAOA120.0°120.0°
CAMCAOHAOHAOA118.7°120.0°
CAMCAOCAQHAQ55.6°60.0°
CAMCAOCAQHAQA64.4°59.9°
CAMCAOCAQCAV175.6°180.0°
CAQCAOHAOHAOA118.7°120.0°
CAOCAQHAQHAQA118.2°120.0°
CAOCAQHAQCAV123.6°120.0°
CAOCAQHAQACAV123.6°120.1°
CAOCAQCAVHAV52.8°60.0°
CAOCAQCAVHAVA172.8°60.0°
HAOCAOCAQHAQ175.6°NaN°
HAOCAOCAQHAQA55.6°60.1°
HAOCAOCAQCAV64.4°60.0°
HAOACAOCAQHAQ64.4°60.0°
HAOACAOCAQHAQA175.6°179.9°
HAOACAOCAQCAV55.6°60.0°
HAPCAPHAPACAR119.1°119.9°
HAPCAPCARCAZ53.9°60.0°
HAPCAPCARHAR173.9°180.0°
HAPCAPCARHARA66.1°60.0°
HAPACAPCARCAZ66.2°60.0°
HAPACAPCARHAR53.9°60.0°
HAPACAPCARHARA173.8°180.0°
HAQCAQHAQACAV118.2°120.0°
HAQCAQCAVHAV172.8°60.0°
HAQCAQCAVHAVA67.2°180.0°
HAQACAQCAVHAV67.2°180.0°
HAQACAQCAVHAVA52.8°60.0°
CAPCARCAZHAR120.0°120.0°
CAPCARCAZHARA120.0°120.0°
CAPCARHARHARA120.3°120.0°
CAPCARCAZCAY172.7°180.0°
CAZCARHARHARA120.3°120.0°
CARCAZCAYOAU19.1°179.9°
CARCAZCAYNAT166.9°0.0°
HARCARCAZCAY67.3°60.0°
HARACARCAZCAY52.7°60.0°
NASCAWCAXNAL7.3°180.0°
NASCAWCAXOAU175.8°0.1°
CAYOAUCAXCAW178.2°180.0°
CAYOAUCAXNAL0.8°0.0°
OAUCAYNATCAZ174.8°180.0°
CAQCAVHAVHAVA119.2°120.0°
CAWCAXNALOAU177.3°179.9°
CAXNALNATCAY2.3°0.0°
CAXOAUCAYNAT0.5°0.0°
CAXOAUCAYCAZ175.4°180.0°

223166

PDB entries from 2024-07-31

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