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AU9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O36C35sing1.43Å1.41Å
C35C31sing1.53Å1.53Å
C25C24doub1.38Å1.39ÅAromatic
C25C26sing1.38Å1.39ÅAromatic
C24C18sing1.38Å1.39ÅAromatic
C26C27doub1.38Å1.39ÅAromatic
C31C32sing1.51Å1.53Å
C31N30sing1.47Å1.46Å
O33C32doub1.21Å1.26Å
C32O34sing1.34Å1.27Å
C18C17sing1.51Å1.54Å
C18C28doub1.38Å1.39ÅAromatic
N13N12sing1.29Å1.38ÅAromatic
N13C14doub1.31Å1.33ÅAromatic
C27C28sing1.38Å1.39ÅAromatic
C27C29sing1.51Å1.54Å
N30C29sing1.47Å1.46Å
C17S16sing1.81Å1.82Å
S16C14sing1.76Å1.83Å
N12C11doub1.30Å1.33ÅAromatic
C14O15sing1.35Å1.33ÅAromatic
C11O15sing1.35Å1.33ÅAromatic
C11C10sing1.51Å1.54Å
C10O09sing1.43Å1.42Å
O09C05sing1.36Å1.42Å
C05C04doub1.39Å1.39ÅAromatic
C05C06sing1.39Å1.39ÅAromatic
C04C03sing1.38Å1.38ÅAromatic
C07C06sing1.51Å1.52Å
C06C01doub1.39Å1.39ÅAromatic
C03C02doub1.38Å1.39ÅAromatic
C01C02sing1.39Å1.39ÅAromatic
C01C08sing1.48Å1.56Å
C08C23doub1.39Å1.39ÅAromatic
C08C19sing1.39Å1.38ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C22C21doub1.38Å1.38ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C17H3sing1.09Å1.10Å
C17H4sing1.09Å1.10Å
C20H5sing1.08Å1.08Å
C21H6sing1.08Å1.08Å
C22H7sing1.08Å1.08Å
C24H8sing1.08Å1.08Å
C26H9sing1.08Å1.08Å
C28H10sing1.08Å1.08Å
C02H11sing1.08Å1.08Å
C03H12sing1.08Å1.08Å
C04H13sing1.08Å1.08Å
C07H14sing1.09Å1.10Å
C07H15sing1.09Å1.10Å
C07H16sing1.09Å1.10Å
C19H17sing1.08Å1.08Å
C23H18sing1.08Å1.08Å
C25H19sing1.08Å1.08Å
C29H20sing1.09Å1.10Å
C29H21sing1.09Å1.10Å
C31H22sing1.09Å1.10Å
C35H23sing1.09Å1.10Å
C35H24sing1.09Å1.10Å
N30H25sing1.01Å1.00Å
O34H27sing0.97Å0.95Å
O36H28sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O36C35C31108.3°109.4°
O36C35H23109.8°109.4°
O36C35H24109.8°109.5°
C35O36H28109.5°113.9°
C35C31C32109.8°109.5°
C35C31N30109.2°109.5°
C35C31H22109.1°109.5°
C31C35H23109.7°109.5°
C31C35H24109.8°109.5°
C24C25C26119.6°120.0°
C25C24C18120.1°120.0°
C25C24H8119.9°120.0°
C24C25H19120.2°120.0°
C25C26C27120.2°119.9°
C25C26H9119.9°120.0°
C26C25H19120.2°120.0°
C24C18C17119.7°120.0°
C24C18C28120.2°120.0°
C18C24H8119.9°120.0°
C26C27C28120.2°120.0°
C26C27C29120.1°120.0°
C27C26H9119.9°120.1°
C32C31N30109.5°109.5°
C31C32O33120.1°120.0°
C31C32O34119.6°120.0°
C32C31H22109.1°109.5°
C31N30C29109.7°111.0°
N30C31H22110.1°109.4°
C31N30H25109.4°110.9°
O33C32O34120.3°120.0°
C32O34H27109.5°117.0°
C17C18C28120.0°120.0°
C18C17S16107.8°109.5°
C18C17H3109.9°109.4°
C18C17H4109.9°109.5°
C18C28C27119.6°120.0°
C18C28H10120.2°120.0°
N12N13C14107.3°109.3°
N13N12C11106.7°109.6°
N13C14S16127.0°126.4°
N13C14O15108.6°107.2°
C28C27C29119.8°120.0°
C27C28H10120.2°120.0°
C27C29N30110.5°109.4°
C27C29H20109.2°109.5°
C27C29H21109.2°109.5°
N30C29H20109.2°109.5°
N30C29H21109.2°109.4°
C29N30H25109.4°111.0°
C17S16C14111.0°100.0°
S16C17H3109.9°109.5°
S16C17H4109.9°109.5°
S16C14O15124.4°126.4°
N12C11O15109.0°107.6°
N12C11C10127.0°126.2°
C14O15C11108.5°106.3°
O15C11C10124.0°126.2°
C11C10O09106.6°109.5°
C11C10H1110.2°109.5°
C11C10H2110.2°109.5°
C10O09C05113.5°117.0°
O09C10H1110.2°109.5°
O09C10H2110.2°109.4°
O09C05C04119.3°120.0°
O09C05C06119.9°119.9°
C04C05C06120.8°120.0°
C05C04C03119.8°120.2°
C05C04H13120.1°119.9°
C05C06C07119.2°120.1°
C05C06C01119.3°119.8°
C04C03C02119.7°120.2°
C04C03H12120.1°120.0°
C03C04H13120.1°119.9°
C07C06C01121.4°120.1°
C06C07H14109.5°109.5°
C06C07H15109.5°109.4°
C06C07H16109.5°109.5°
C06C01C02119.6°119.8°
C06C01C08122.4°120.1°
C03C02C01120.8°120.0°
C03C02H11119.6°120.0°
C02C03H12120.1°119.9°
C02C01C08117.9°120.1°
C01C02H11119.6°120.0°
C01C08C23121.7°120.1°
C01C08C19118.3°120.1°
C23C08C19120.0°119.7°
C08C23C22120.0°119.9°
C08C23H18120.0°120.0°
C08C19C20120.0°119.9°
C08C19H17120.0°120.0°
C23C22C21119.9°120.2°
C23C22H7120.0°120.0°
C22C23H18120.0°120.1°
C19C20C21120.0°120.2°
C19C20H5120.0°119.9°
C20C19H17120.0°120.1°
C22C21C20120.1°120.2°
C22C21H6120.0°119.9°
C21C22H7120.0°119.9°
C21C20H5120.0°119.9°
C20C21H6120.0°119.9°
H1C10H2109.4°109.4°
H3C17H4109.5°109.5°
H14C07H15109.5°109.4°
H14C07H16109.4°109.5°
H15C07H16109.5°109.4°
H20C29H21109.5°109.5°
H23C35H24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O36C35C31H23119.8°119.9°
O36C35C31H24119.9°120.0°
O36C35C31C32125.5°55.0°
O36C35C31N30114.4°65.0°
O36C35C31H226.0°175.0°
O36C35H23H24120.5°120.1°
C35C31C32N30120.0°120.0°
C35C31C32H22119.5°120.0°
C35C31N30H22119.8°120.0°
C35C31C32O3345.4°120.0°
C35C31C32O34134.6°59.9°
C35C31N30C29113.4°155.0°
C31C35H23H24120.5°120.0°
C35C31N30H25126.5°81.1°
C31C35O36H28180.0°180.0°
C24C25C26H19180.0°180.0°
C25C24C18H8180.0°179.7°
C24C25C26C270.3°0.0°
C25C24C18C17179.9°179.7°
C25C24C18C280.1°0.3°
C24C25C26H9179.6°179.7°
C26C25C24C180.1°0.0°
C25C26C27H9180.0°179.7°
C25C26C27C280.3°0.2°
C25C26C27C29179.8°179.7°
C26C25C24H8179.9°179.7°
C24C18C17C28179.7°180.0°
C24C18C28C270.2°0.5°
C24C18C17S1633.3°90.0°
C24C18C17H3153.1°150.0°
C24C18C17H486.4°30.0°
C24C18C28H10179.8°179.9°
C18C24C25H19179.9°180.0°
C26C27C28C180.1°0.5°
C26C27C28C29179.9°179.9°
C26C27C29N30116.6°90.0°
C26C27C28H10180.0°179.9°
C27C26C25H19179.7°180.0°
C26C27C29H20123.3°150.0°
C26C27C29H213.5°29.9°
C32C31N30H22119.9°120.0°
C31C32O33O34180.0°179.9°
C32C31N30C29126.2°85.0°
C32C31C35H235.7°64.9°
C32C31C35H24114.6°175.0°
C32C31N30H256.2°39.0°
C31C32O34H27180.0°180.0°
N30C31C32O3374.6°0.0°
N30C31C32O34105.4°180.0°
C31N30C29C27112.0°180.0°
C31N30C29H25120.1°123.9°
C31N30C29H20127.9°60.0°
C31N30C29H218.2°60.0°
N30C31C35H23125.8°175.0°
N30C31C35H245.5°55.0°
O33C32C31H22164.9°120.0°
O33C32O34H270.0°0.1°
O34C32C31H2215.1°60.0°
C17C18C28C27179.9°179.5°
C18C17S16H3119.7°120.0°
C18C17S16H4119.7°120.0°
C18C17S16C14179.3°180.0°
C18C17H3H4120.8°120.0°
C17C18C24H80.1°0.0°
C17C18C28H100.1°0.1°
C18C28C27H10180.0°179.6°
C18C28C27C29180.0°179.4°
C28C18C17S16146.4°90.0°
C28C18C17H326.6°30.0°
C28C18C17H493.9°150.0°
C28C18C24H8179.9°180.0°
N12N13C14S16179.7°180.0°
N12N13C14O150.3°0.0°
N13N12C11O150.2°0.0°
N13N12C11C10179.7°180.0°
N13C14S16C1776.2°0.0°
N13C14S16O15179.4°180.0°
C14N13N12C110.3°0.0°
N13C14O15C110.1°0.0°
C28C27C29N3063.3°90.1°
C28C27C26H9179.7°180.0°
C28C27C29H2056.8°29.9°
C28C27C29H21176.5°150.0°
C27C29N30H20120.1°120.0°
C27C29N30H21120.1°119.9°
C29C27C26H90.2°0.1°
C29C27C28H100.1°0.1°
C27C29H20H21119.5°120.0°
C27C29N30H25128.0°56.1°
N30C29H20H21119.5°120.0°
C29N30C31H226.3°35.0°
C17S16C14O15104.4°180.0°
S16C17H3H4120.8°120.0°
S16C14O15C11179.6°180.0°
C14S16C17H360.9°60.0°
C14S16C17H459.6°60.0°
N12C11O15C140.1°0.0°
N12C11O15C10179.5°180.0°
N12C11C10O09144.0°90.1°
N12C11C10H124.5°150.0°
N12C11C10H296.4°30.0°
C14O15C11C10179.6°180.0°
O15C11C10O0935.4°89.9°
O15C11C10H1155.0°30.0°
O15C11C10H284.2°150.0°
C11C10O09H1119.6°120.0°
C11C10O09H2119.5°120.1°
C11C10O09C05174.6°180.0°
C11C10H1H2121.3°120.1°
C10O09C05C0422.3°0.0°
C10O09C05C06157.5°179.7°
O09C10H1H2121.4°119.9°
O09C05C04C06179.8°179.7°
O09C05C04C03179.7°180.0°
O09C05C06C070.0°0.3°
O09C05C06C01179.7°179.7°
C05O09C10H165.8°60.0°
C05O09C10H255.1°59.9°
O09C05C04H130.3°0.1°
C05C04C03H13180.0°179.9°
C04C05C06C07179.7°180.0°
C04C05C06C010.1°0.6°
C05C04C03C020.2°0.1°
C05C04C03H12179.8°180.0°
C06C05C04C030.1°0.4°
C05C06C07C01179.7°179.4°
C05C06C01C020.2°0.6°
C05C06C01C08179.8°179.7°
C06C05C04H13179.9°179.7°
C05C06C07H1489.8°95.3°
C05C06C07H15150.2°144.7°
C05C06C07H1630.1°24.7°
C04C03C02H12180.0°179.9°
C04C03C02C010.3°0.1°
C04C03C02H11179.7°180.0°
C07C06C01C02179.8°180.0°
C07C06C01C080.5°0.3°
C06C07H14H15120.0°120.0°
C06C07H14H16120.0°120.0°
C06C07H15H16120.0°119.9°
C06C01C02C030.3°0.3°
C06C01C02C08179.6°179.7°
C06C01C08C2366.0°55.8°
C06C01C08C19115.3°125.0°
C06C01C02H11179.7°179.7°
C01C06C07H1489.8°85.2°
C01C06C07H1530.2°34.7°
C01C06C07H16150.2°154.7°
C03C02C01H11180.0°180.0°
C03C02C01C08179.9°180.0°
C02C03C04H13179.8°180.0°
C02C01C08C23114.4°123.9°
C02C01C08C1964.4°55.2°
C01C02C03H12179.7°180.0°
C01C08C23C19178.7°179.1°
C01C08C23C22179.7°180.0°
C01C08C19C20179.6°179.7°
C08C01C02H110.1°0.0°
C01C08C19H170.4°0.8°
C01C08C23H180.3°0.9°
C08C23C22H18180.0°179.1°
C23C08C19C200.8°0.6°
C08C23C22C210.7°0.6°
C08C23C22H7179.3°179.4°
C23C08C19H17179.2°180.0°
C19C08C23C221.0°0.9°
C08C19C20H17180.0°179.4°
C08C19C20C210.4°0.0°
C08C19C20H5179.6°179.7°
C19C08C23H18179.0°179.9°
C23C22C21H7180.0°180.0°
C23C22C21C200.3°0.0°
C23C22C21H6179.7°180.0°
C19C20C21C220.1°0.3°
C19C20C21H5180.0°179.7°
C19C20C21H6179.9°179.7°
C22C21C20H6180.0°180.0°
C22C21C20H5179.9°180.0°
C21C22C23H18179.3°179.7°
C20C21C22H7179.7°180.0°
C21C20C19H17179.6°179.5°
H5C20C21H60.1°0.0°
H5C20C19H170.4°0.3°
H6C21C22H70.3°0.0°
H7C22C23H180.7°0.4°
H8C24C25H190.1°0.2°
H9C26C25H190.4°0.3°
H11C02C03H120.3°0.1°
H12C03C04H130.2°0.1°
H14C07H15H16120.0°120.0°
H20C29N30H257.8°63.9°
H21C29N30H25111.9°176.1°
H22C31C35H23113.9°55.1°
H22C31C35H24125.8°65.0°
H22C31N30H25113.7°159.0°
H23C35O36H2860.2°60.1°
H24C35O36H2860.1°60.0°

222415

PDB entries from 2024-07-10

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