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E8K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2Sdoub1.42Å1.43Å
C12C11doub1.38Å1.39ÅAromatic
C12C7sing1.38Å1.39ÅAromatic
C11C10sing1.38Å1.38ÅAromatic
SC7sing1.76Å1.76Å
SN1sing1.66Å1.61Å
SO3doub1.42Å1.43Å
C7C8doub1.38Å1.39ÅAromatic
N1C6sing1.46Å1.47Å
C10C9doub1.38Å1.38ÅAromatic
C8C9sing1.38Å1.39ÅAromatic
C5C6sing1.53Å1.51Å
C5Nsing1.47Å1.47Å
C4Nsing1.47Å1.48Å
C4C3sing1.53Å1.53Å
NC13sing1.47Å1.48Å
C13C14sing1.53Å1.53Å
C3C2sing1.53Å1.52Å
C2C14sing1.53Å1.52Å
C2C1sing1.53Å1.51Å
C1O1sing1.45Å1.45Å
O1Csing1.35Å1.34Å
COdoub1.22Å1.21Å
CC15sing1.47Å1.48Å
C21C20doub1.38Å1.39ÅAromatic
C21C22sing1.39Å1.40ÅAromatic
C20C19sing1.39Å1.39ÅAromatic
C15C22sing1.47Å1.45ÅAromatic
C15C16doub1.36Å1.38ÅAromatic
C22C17doub1.40Å1.41ÅAromatic
C19C18doub1.38Å1.39ÅAromatic
C16N2sing1.35Å1.37ÅAromatic
C17C18sing1.39Å1.39ÅAromatic
C17N2sing1.38Å1.38ÅAromatic
C12H1sing1.08Å1.08Å
C11H2sing1.08Å1.08Å
C10H3sing1.08Å1.08Å
C9H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
N1H6sing0.97Å1.00Å
C6H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C5H10sing1.09Å1.10Å
C4H12sing1.09Å1.10Å
C4H13sing1.09Å1.10Å
C3H14sing1.09Å1.10Å
C3H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C2H20sing1.09Å1.10Å
C1H21sing1.09Å1.10Å
C1H22sing1.09Å1.10Å
N2H23sing0.97Å1.00Å
C16H24sing1.08Å1.08Å
C21H25sing1.08Å1.08Å
C20H26sing1.08Å1.08Å
C19H27sing1.08Å1.08Å
C18H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2SC7107.8°106.4°
O2SN1106.7°106.4°
O2SO3119.3°123.2°
C11C12C7119.1°120.0°
C12C11C10120.5°120.0°
C11C12H1120.4°120.0°
C12C11H2119.8°120.0°
C12C7S119.4°120.0°
C12C7C8120.9°120.0°
C7C12H1120.5°120.0°
C11C10C9119.9°120.0°
C10C11H2119.8°119.9°
C11C10H3120.1°120.0°
C7SN1107.4°107.2°
C7SO3108.1°106.4°
SC7C8119.7°120.0°
N1SO3106.9°106.4°
SN1C6121.3°120.0°
SN1H6106.4°120.0°
C7C8C9119.2°120.0°
C7C8H5120.4°120.0°
N1C6C5109.6°109.4°
C6N1H6106.5°120.0°
N1C6H7109.5°109.5°
N1C6H8109.4°109.5°
C10C9C8120.4°120.0°
C9C10H3120.0°120.0°
C10C9H4119.8°120.0°
C8C9H4119.8°120.0°
C9C8H5120.4°120.0°
C6C5N113.5°109.5°
C5C6H7109.4°109.5°
C5C6H8109.4°109.5°
C6C5H9108.5°109.5°
C6C5H10108.5°109.5°
C5NC4110.2°111.0°
C5NC13110.5°111.1°
NC5H9108.4°109.5°
NC5H10108.4°109.4°
NC4C3111.8°109.5°
C4NC13110.5°111.2°
NC4H12108.9°109.4°
NC4H13108.9°109.5°
C4C3C2110.4°109.3°
C3C4H12108.9°109.4°
C3C4H13108.9°109.5°
C4C3H14109.2°109.5°
C4C3H15109.2°109.5°
NC13C14112.0°109.6°
NC13H16108.8°109.5°
NC13H17108.8°109.4°
C13C14C2110.9°109.2°
C14C13H16108.8°109.5°
C14C13H17108.9°109.5°
C13C14H18109.1°109.5°
C13C14H19109.1°109.5°
C3C2C14109.0°109.2°
C3C2C1113.7°109.5°
C2C3H14109.2°109.5°
C2C3H15109.2°109.5°
C3C2H20106.5°109.5°
C14C2C1114.1°109.5°
C2C14H18109.1°109.5°
C2C14H19109.1°109.5°
C14C2H20106.5°109.5°
C2C1O1110.8°109.5°
C1C2H20106.5°109.6°
C2C1H21109.2°109.4°
C2C1H22109.1°109.4°
C1O1C116.3°117.0°
O1C1H21109.1°109.5°
O1C1H22109.2°109.5°
O1CO123.1°120.0°
O1CC15112.6°120.0°
OCC15124.3°120.0°
CC15C22129.1°126.8°
CC15C16124.7°126.8°
C20C21C22119.9°119.7°
C21C20C19120.7°120.3°
C20C21H25120.1°120.1°
C21C20H26119.7°119.9°
C21C22C15134.9°134.0°
C21C22C17118.5°120.1°
C22C21H25120.0°120.2°
C20C19C18120.6°120.6°
C19C20H26119.6°119.8°
C20C19H27119.7°119.7°
C22C15C16106.2°106.4°
C15C22C17106.6°105.9°
C15C16N2110.1°109.8°
C15C16H24124.9°125.1°
C22C17C18121.8°119.3°
C22C17N2107.8°107.4°
C19C18C17118.5°120.0°
C18C19H27119.7°119.7°
C19C18H28120.7°120.0°
C16N2C17109.3°110.5°
C16N2H23125.4°124.8°
N2C16H24125.0°125.1°
C18C17N2130.4°133.3°
C17C18H28120.8°120.0°
C17N2H23125.4°124.7°
H7C6H8109.5°109.5°
H9C5H10109.5°109.4°
H12C4H13109.5°109.4°
H14C3H15109.5°109.5°
H16C13H17109.5°109.4°
H18C14H19109.5°109.6°
H21C1H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2SC7C1246.0°156.7°
O2SC7N1114.7°113.5°
O2SC7O3130.3°132.9°
O2SN1O3128.7°132.9°
O2SC7C8133.2°23.5°
O2SN1C6176.6°178.5°
O2SN1H661.7°1.4°
C11C12C7H1180.0°179.9°
C12C11C10H2180.0°180.0°
C11C12C7S178.7°180.0°
C11C12C7C80.5°0.3°
C12C11C10C90.1°0.0°
C12C11C10H3179.9°180.0°
C7C12C11C100.2°0.0°
C12C7SC8179.2°179.7°
C12C7SN168.7°89.7°
C12C7SO3176.3°23.8°
C12C7C8C90.4°0.5°
C7C12C11H2179.8°180.0°
C12C7C8H5179.6°179.8°
C11C10C9H3180.0°179.9°
C11C10C9C80.2°0.2°
C10C11C12H1179.8°180.0°
C11C10C9H4179.8°180.0°
C7SN1O3115.9°113.6°
C7SN1C668.0°65.0°
SC7C8C9178.8°179.7°
SC7C12H11.3°0.0°
SC7C8H51.2°0.0°
C7SN1H653.7°115.0°
N1SC7C8112.1°90.0°
SN1C6H6121.6°179.9°
SN1C6C5145.3°165.0°
SN1C6H794.7°75.0°
SN1C6H825.3°45.1°
O3SC7C82.9°156.5°
O3SN1C647.9°48.6°
O3SN1H6169.5°131.5°
C7C8C9C100.0°0.5°
C7C8C9H5180.0°179.7°
C8C7C12H1179.6°179.7°
C7C8C9H4180.0°179.7°
N1C6C5H7120.0°120.0°
N1C6C5H8120.0°120.0°
N1C6C5N164.1°180.0°
N1C6H7H8120.0°120.0°
N1C6C5H975.3°60.0°
N1C6C5H1043.5°60.0°
C10C9C8H4180.0°179.8°
C9C10C11H2179.9°180.0°
C10C9C8H5179.9°179.8°
C8C9C10H3179.8°179.8°
C6C5NH9120.6°120.1°
C6C5NH10120.6°120.0°
C6C5NC4117.5°65.7°
C6C5NC13120.1°170.0°
C5C6N1H623.6°15.1°
C5C6H7H8119.9°120.0°
C6C5H9H10118.2°120.0°
C5NC4C13122.4°124.2°
C5NC4C3179.7°174.2°
C5NC13C14178.5°174.1°
NC5C6H744.1°60.0°
NC5C6H875.9°60.0°
NC5H9H10118.1°119.9°
C5NC4H1259.3°65.9°
C5NC4H1360.0°54.0°
C5NC13H1661.1°54.1°
C5NC13H1758.1°65.9°
NC4C3H12120.3°120.0°
NC4C3H13120.3°120.1°
C4NC13C1456.3°61.7°
NC4C3C258.2°59.1°
C4NC5H9121.9°174.2°
C4NC5H103.1°54.3°
NC4H12H13119.0°120.0°
NC4C3H14178.3°179.1°
NC4C3H1562.0°60.9°
C4NC13H16176.7°178.2°
C4NC13H1764.1°58.3°
C3C4NC1357.3°61.6°
C4C3C2H14120.1°120.0°
C4C3C2H15120.1°119.9°
C4C3C2C1456.4°57.7°
C4C3C2C1175.1°177.5°
C3C4H12H13118.9°120.0°
C4C3H14H15119.5°120.0°
C4C3C2H2058.1°62.3°
NC13C14H16120.4°120.1°
NC13C14H17120.4°120.0°
NC13C14C256.4°59.2°
C13NC5H90.5°49.9°
C13NC5H10119.3°70.0°
C13NC4H1263.1°58.3°
C13NC4H13177.6°178.2°
NC13H16H17118.9°119.9°
NC13C14H1863.8°60.8°
NC13C14H19176.6°179.1°
C13C14C2C355.6°57.6°
C13C14C2H18120.3°119.9°
C13C14C2H19120.2°119.9°
C13C14C2C1176.1°177.6°
C14C13H16H17118.9°120.0°
C13C14H18H19119.4°120.1°
C13C14C2H2058.9°62.3°
C3C2C14C1128.3°119.9°
C3C2C14H20114.5°119.9°
C3C2C1H20117.0°120.1°
C3C2C1O165.9°175.0°
C2C3C4H1262.2°60.9°
C2C3C4H13178.5°179.2°
C2C3H14H15119.6°120.1°
C3C2C14H1864.6°62.3°
C3C2C14H19175.9°177.6°
C3C2C1H21173.9°55.0°
C3C2C1H2254.3°65.0°
C14C2C1H20117.2°120.2°
C14C2C1O159.9°65.3°
C14C2C3H14176.5°177.6°
C14C2C3H1563.7°62.3°
C2C14C13H16176.8°179.2°
C2C14C13H1764.0°60.8°
C2C14H18H19119.3°120.2°
C14C2C1H2160.3°174.7°
C14C2C1H22179.9°54.7°
C2C1O1H21120.2°119.9°
C2C1O1H22120.2°120.0°
C2C1O1C167.2°180.0°
C1C2C3H1455.0°62.5°
C1C2C3H1564.8°57.6°
C1C2C14H1863.7°57.7°
C1C2C14H1955.9°62.5°
C2C1H21H22119.4°120.0°
C1O1CO5.9°0.1°
C1O1CC15172.9°180.0°
O1C1C2H20177.1°54.9°
O1C1H21H22119.4°120.1°
O1COC15178.7°180.0°
O1CC15C2224.4°179.9°
O1CC15C16157.7°0.3°
CO1C1H2147.0°60.0°
CO1C1H2272.6°60.1°
OCC15C22154.4°0.0°
OCC15C1623.5°179.7°
CC15C22C212.4°0.1°
CC15C22C16178.1°179.7°
CC15C22C17178.0°180.0°
CC15C16N2178.2°179.9°
CC15C16H241.8°0.0°
C20C21C22H25180.0°180.0°
C21C20C19H26180.0°180.0°
C20C21C22C15178.9°180.0°
C20C21C22C170.6°0.0°
C21C20C19C180.0°0.0°
C21C20C19H27180.0°180.0°
C22C21C20C190.6°0.0°
C21C22C15C17179.5°180.0°
C21C22C15C16179.4°179.8°
C21C22C17C180.0°0.0°
C21C22C17N2179.5°180.0°
C22C21C20H26179.5°180.0°
C20C19C18H27180.0°180.0°
C20C19C18C170.5°0.0°
C19C20C21H25179.5°180.0°
C20C19C18H28179.5°180.0°
C22C15C16N20.0°0.4°
C15C22C17C18179.6°180.0°
C15C22C17N20.1°0.0°
C22C15C16H24180.0°179.7°
C15C22C21H251.1°0.0°
C16C15C22C170.1°0.3°
C15C16N2H24180.0°179.9°
C15C16N2C170.0°0.4°
C15C16N2H23180.0°179.7°
C22C17C18C190.5°0.0°
C22C17N2C160.1°0.2°
C22C17C18N2179.3°179.9°
C22C17N2H23179.9°179.9°
C17C22C21H25179.4°180.0°
C22C17C18H28179.5°180.0°
C19C18C17H28180.0°180.0°
C19C18C17N2178.8°180.0°
C18C19C20H26180.0°180.0°
C16N2C17C18179.5°179.7°
C16N2C17H23180.0°179.9°
C18C17N2H230.5°0.1°
C17C18C19H27179.5°180.0°
C17N2C16H24180.0°179.7°
N2C17C18H281.2°0.0°
H1C12C11H20.2°0.0°
H2C11C10H30.1°0.0°
H3C10C9H40.2°0.0°
H4C9C8H50.0°0.0°
H6N1C6H7143.7°104.9°
H6N1C6H896.4°135.0°
H7C6C5H9164.7°180.0°
H7C6C5H1076.5°60.0°
H8C6C5H944.7°60.0°
H8C6C5H10163.5°180.0°
H12C4C3H1458.0°59.1°
H12C4C3H15177.7°179.2°
H13C4C3H1461.4°60.8°
H13C4C3H1558.4°59.2°
H14C3C2H2062.0°57.7°
H15C3C2H20178.2°177.8°
H16C13C14H1856.6°59.3°
H16C13C14H1963.0°60.8°
H17C13C14H18175.8°179.3°
H17C13C14H1956.2°59.1°
H18C14C2H20179.1°177.8°
H19C14C2H2061.3°57.6°
H20C2C1H2156.9°65.2°
H20C2C1H2262.7°174.8°
H23N2C16H240.0°0.1°
H25C21C20H260.5°0.0°
H26C20C19H270.0°0.0°
H27C19C18H280.5°0.0°

222624

PDB entries from 2024-07-17

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