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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C5sing1.53Å1.50Å
C6C4sing1.53Å1.49Å
C5C4sing1.53Å1.49Å
O5C12doub1.22Å1.21Å
C19C20sing1.53Å1.50Å
C19N2sing1.47Å1.47Å
C4Nsing1.47Å1.46Å
C20N1sing1.47Å1.45Å
C12N2sing1.35Å1.33Å
C12C13sing1.48Å1.51Å
N2C11sing1.47Å1.46Å
NC3sing1.34Å1.35Å
NC7sing1.38Å1.38Å
C8C7doub1.39Å1.40ÅAromatic
C8C9sing1.39Å1.39ÅAromatic
C3C1doub1.38Å1.37Å
N1C9sing1.39Å1.45Å
N1C10sing1.47Å1.47Å
C7C23sing1.41Å1.41ÅAromatic
C13C18doub1.40Å1.39ÅAromatic
C13C14sing1.40Å1.40ÅAromatic
C9C21doub1.40Å1.40ÅAromatic
C18C17sing1.38Å1.39ÅAromatic
C11C10sing1.53Å1.49Å
C14C15doub1.38Å1.39ÅAromatic
C1C2sing1.47Å1.49Å
C1Csing1.47Å1.43Å
O1C2doub1.22Å1.31Å
C23Csing1.47Å1.49Å
C23C22doub1.40Å1.40ÅAromatic
C2O2sing1.35Å1.20Å
C21C22sing1.37Å1.38ÅAromatic
C21Fsing1.35Å1.34Å
C17C16doub1.38Å1.39ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
COdoub1.22Å1.24Å
C16Ssing1.76Å1.78Å
N3Ssing1.66Å1.59Å
O4Sdoub1.42Å1.42Å
SO3doub1.42Å1.44Å
O2H1sing0.97Å0.95Å
C11H2sing1.09Å1.10Å
C11H3sing1.09Å1.10Å
C19H4sing1.09Å1.10Å
C19H5sing1.09Å1.10Å
C20H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C18H8sing1.08Å1.08Å
C22H9sing1.08Å1.08Å
C17H10sing1.08Å1.08Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C14H13sing1.08Å1.08Å
N3H14sing0.97Å1.00Å
N3H15sing0.97Å1.00Å
C15H16sing1.08Å1.08Å
C3H17sing1.08Å1.08Å
C4H18sing1.09Å1.10Å
C5H19sing1.09Å1.10Å
C5H20sing1.09Å1.10Å
C8H21sing1.08Å1.08Å
C6H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C6C459.8°60.0°
C6C5C459.8°60.0°
C6C5H19120.0°117.5°
C6C5H20120.1°117.6°
C5C6H22120.1°117.5°
C5C6H23120.0°117.5°
C6C4C560.4°60.0°
C6C4N118.7°117.5°
C6C4H18115.7°117.5°
C4C6H22120.1°117.5°
C4C6H23120.1°117.5°
C5C4N118.6°117.5°
C5C4H18115.6°117.5°
C4C5H19120.0°117.5°
C4C5H20120.1°117.5°
O5C12N2120.9°119.9°
O5C12C13119.9°120.0°
C20C19N2111.9°108.5°
C19C20N1111.7°109.4°
C20C19H4108.9°109.7°
C20C19H5108.9°109.6°
C19C20H6108.9°109.5°
C19C20H7108.9°109.5°
C19N2C12119.8°120.8°
C19N2C11113.9°118.3°
N2C19H4108.9°109.7°
N2C19H5108.9°109.6°
C4NC3120.3°118.6°
C4NC7119.4°118.6°
NC4H18116.2°115.6°
C20N1C9115.0°111.0°
C20N1C10106.9°111.3°
N1C20H6108.9°109.5°
N1C20H7108.9°109.5°
N2C12C13119.1°120.1°
C12N2C11126.3°120.9°
C12C13C18122.9°120.1°
C12C13C14118.9°120.2°
N2C11C10109.1°108.5°
N2C11H2109.6°109.6°
N2C11H3109.6°109.7°
C3NC7120.0°122.8°
NC3C1124.7°122.2°
NC3H17117.7°118.9°
NC7C8120.1°120.5°
NC7C23119.0°120.3°
C7C8C9121.4°119.8°
C8C7C23120.8°119.2°
C7C8H21119.3°120.1°
C8C9N1123.5°119.7°
C8C9C21116.4°120.5°
C9C8H21119.3°120.1°
C3C1C2118.8°120.6°
C3C1C119.8°118.9°
C1C3H17117.6°118.9°
C9N1C10112.9°111.0°
N1C9C21120.1°119.7°
N1C10C11111.0°109.4°
N1C10H11109.1°109.5°
N1C10H12109.1°109.5°
C7C23C121.4°118.6°
C7C23C22118.0°120.3°
C18C13C14118.0°119.7°
C13C18C17120.9°119.8°
C13C18H8119.5°120.1°
C13C14C15121.4°119.8°
C13C14H13119.3°120.1°
C9C21C22123.4°120.3°
C9C21F118.0°119.8°
C18C17C16120.0°120.1°
C17C18H8119.5°120.1°
C18C17H10120.0°120.0°
C10C11H2109.6°109.6°
C10C11H3109.5°109.7°
C11C10H11109.1°109.5°
C11C10H12109.1°109.5°
C14C15C16119.8°120.1°
C15C14H13119.3°120.1°
C14C15H16120.0°120.0°
C2C1C121.4°120.5°
C1C2O1117.3°120.0°
C1C2O2121.5°120.0°
C1CC23114.9°117.2°
C1CO122.6°121.4°
O1C2O2121.2°120.0°
CC23C22120.6°121.1°
C23CO122.3°121.4°
C23C22C21119.9°119.8°
C23C22H9120.1°120.1°
C2O2H1109.5°116.9°
C22C21F118.6°119.8°
C21C22H9120.0°120.1°
C17C16C15119.7°120.3°
C17C16S121.9°119.8°
C16C17H10119.9°119.9°
C15C16S118.4°119.8°
C16C15H16120.1°119.9°
C16SN3108.4°107.2°
C16SO4105.7°106.4°
C16SO3105.9°106.4°
N3SO4109.1°106.4°
N3SO3109.4°106.4°
SN3H14109.5°119.9°
SN3H15109.5°120.0°
O4SO3118.0°123.2°
H2C11H3109.5°109.7°
H4C19H5109.4°109.7°
H6C20H7109.4°109.5°
H11C10H12109.5°109.5°
H14N3H15109.5°120.0°
H19C5H20109.5°115.5°
H22C6H23109.4°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C6C4H22109.4°107.5°
C5C6C4H23109.4°107.5°
C6C5C4H19109.4°107.5°
C6C5C4H20109.4°107.6°
C5C6C4N108.5°107.5°
C5C6C4H18106.2°107.5°
C6C5H19H20144.8°145.8°
C5C6H22H23144.8°145.7°
C6C4NH18145.1°145.7°
C6C4NC393.0°14.1°
C6C4NC792.9°165.9°
C4C6H22H23144.9°145.7°
C5C4NH18144.9°145.7°
C5C4NC323.0°54.5°
C5C4NC7162.8°125.5°
C4C5H19H20144.9°145.6°
O5C12N2C1916.3°175.8°
O5C12N2C13176.3°180.0°
O5C12N2C11162.2°4.2°
O5C12C13C18128.8°135.1°
O5C12C13C1446.5°44.9°
C20C19N2H4120.4°119.8°
C20C19N2H5120.4°119.6°
C19C20N1H6120.3°120.0°
C19C20N1H7120.4°120.0°
C20C19N2C12130.5°128.9°
C20C19N2C1148.2°51.1°
C19C20N1C9173.5°172.7°
C19C20N1C1060.4°63.1°
C20C19H4H5118.9°120.4°
C19C20H6H7119.0°120.0°
N2C19C20N152.9°53.8°
C19N2C12C11178.5°180.0°
C19N2C12C13167.4°4.2°
C19N2C11C1051.1°51.1°
C19N2C11H2171.0°68.5°
C19N2C11H368.8°170.9°
N2C19H4H5118.9°120.5°
N2C19C20H6173.3°173.8°
N2C19C20H767.4°66.2°
C4NC3C7174.1°180.0°
C4NC7C85.5°0.1°
C4NC3C1169.5°179.4°
C4NC7C23171.4°180.0°
C4NC3H1710.5°0.5°
NC4C5H190.8°145.0°
NC4C5H20142.0°0.1°
NC4C6H22142.1°0.0°
NC4C6H230.9°145.0°
C20N1C9C82.5°60.1°
C20N1C9C10123.0°124.3°
C20N1C9C21177.6°120.0°
C20N1C10C1164.7°63.1°
N1C20C19H4173.3°173.6°
N1C20C19H567.4°65.9°
N1C20H6H7119.0°120.1°
C20N1C10H11175.1°56.8°
C20N1C10H1255.5°176.9°
N2C12C13C1854.8°44.9°
N2C12C13C14129.8°135.1°
C12N2C11C10127.5°128.8°
C12N2C11H27.6°111.5°
C12N2C11H3112.6°9.0°
C12N2C19H410.1°9.1°
C12N2C19H5109.1°111.5°
C13C12N2C1114.1°175.8°
C12C13C18C14175.4°180.0°
C12C13C18C17174.5°180.0°
C12C13C14C15172.8°179.5°
C12C13C18H85.5°0.3°
C12C13C14H137.2°0.0°
N2C11C10N160.1°53.8°
N2C11C10H2119.9°119.6°
N2C11C10H3119.9°119.9°
N2C11H2H3120.2°120.6°
C11N2C19H4168.6°170.9°
C11N2C19H572.2°68.5°
N2C11C10H11179.7°66.1°
N2C11C10H1260.2°173.8°
C3NC7C8179.6°180.0°
NC3C1H17180.0°179.9°
C3NC7C232.8°0.0°
NC3C1C2176.8°180.0°
NC3C1C1.8°1.1°
C3NC4H18121.9°159.8°
NC7C8C23176.8°179.9°
NC7C8C9178.9°179.8°
C7NC3C14.6°0.6°
NC7C23C1.5°0.0°
NC7C23C22179.1°179.5°
C7NC3H17175.4°179.5°
C7NC4H1852.3°20.2°
NC7C8H211.1°0.1°
C7C8C9H21180.0°179.7°
C7C8C9N1176.9°180.0°
C7C8C9C213.1°0.1°
C8C7C23C175.3°179.9°
C8C7C23C222.3°0.5°
C8C9N1C21179.9°179.9°
C8C9N1C10120.5°64.2°
C9C8C7C234.3°0.3°
C8C9C21C220.1°0.0°
C8C9C21F179.2°179.8°
C3C1C2C178.5°178.9°
C3C1C2O139.6°1.1°
C3C1CC232.5°1.0°
C3C1C2O2142.0°179.0°
C3C1CO172.1°178.9°
C9N1C10C11167.9°172.7°
N1C9C21C22180.0°179.9°
N1C9C21F0.8°0.3°
C9N1C20H653.1°52.8°
C9N1C20H766.2°67.3°
C9N1C10H1147.7°67.3°
C9N1C10H1271.8°52.8°
N1C9C8H213.1°0.3°
C10N1C9C2159.5°115.7°
N1C10C11H11120.2°120.0°
N1C10C11H12120.2°120.0°
N1C10C11H2180.0°65.8°
N1C10C11H359.9°173.7°
C10N1C20H6179.3°176.9°
C10N1C20H760.0°56.8°
N1C10H11H12119.3°120.1°
C7C23CC14.1°0.5°
C7C23CC22177.5°179.6°
C7C23C22C210.7°0.5°
C7C23CO170.5°179.5°
C7C23C22H9179.3°179.5°
C23C7C8H21175.7°180.0°
C13C18C17H8180.0°179.7°
C18C13C14C152.8°0.5°
C13C18C17C161.7°0.3°
C13C18C17H10178.3°179.8°
C18C13C14H13177.2°180.0°
C14C13C18C170.9°0.0°
C13C14C15H13180.0°179.5°
C13C14C15C162.1°0.7°
C14C13C18H8179.1°179.7°
C13C14C15H16177.9°180.0°
C9C21C22C231.9°0.3°
C9C21C22F179.3°179.7°
C9C21C22H9178.1°179.7°
C21C9C8H21176.9°179.8°
C18C17C16H10180.0°179.9°
C18C17C16C152.5°0.0°
C18C17C16S178.6°179.9°
C10C11H2H3120.2°120.5°
C11C10H11H12119.3°120.0°
C14C15C16C170.6°0.5°
C14C15C16H16180.0°179.3°
C14C15C16S179.5°179.5°
C1C2O1O2178.4°179.9°
C2C1CC23179.0°179.9°
C2C1CO6.5°0.0°
C1C2O2H1178.3°180.0°
C2C1C3H173.2°0.0°
CC1C2O1138.9°180.0°
C1CC23O174.5°179.9°
C1CC23C22178.5°180.0°
CC1C2O239.5°0.0°
CC1C3H17178.2°179.0°
O1C2O2H10.0°0.0°
CC23C22C21178.3°179.9°
CC23C22H91.7°0.1°
C23C22C21H9180.0°180.0°
C23C22C21F178.9°180.0°
C22C23CO7.0°0.1°
FC21C22H91.1°0.0°
C17C16C15S178.9°180.0°
C17C16SN347.2°90.0°
C17C16SO4164.1°156.5°
C17C16SO370.0°23.5°
C16C17C18H8178.3°180.0°
C17C16C15H16179.4°179.8°
C15C16SN3133.9°90.0°
C15C16SO417.0°23.5°
C15C16SO3108.9°156.4°
C15C16C17H10177.5°180.0°
C16C15C14H13177.9°179.8°
C16SN3O4114.7°113.5°
C16SN3O3115.0°113.5°
C16SO4O3118.1°122.9°
SC16C17H101.4°0.0°
C16SN3H14180.0°150.0°
C16SN3H1560.0°30.0°
SC16C15H160.5°0.3°
N3SO4O3125.6°123.0°
SN3H14H15120.0°180.0°
O4SN3H1465.3°36.5°
O4SN3H1554.7°143.5°
O3SN3H1465.0°96.5°
O3SN3H15174.9°83.5°
H2C11C10H1159.7°174.2°
H2C11C10H1259.8°54.2°
H3C11C10H1160.4°53.7°
H3C11C10H12179.9°66.3°
H4C19C20H666.4°66.4°
H4C19C20H752.9°53.6°
H5C19C20H652.9°54.1°
H5C19C20H7172.2°174.1°
H8C18C17H101.7°0.1°
H13C14C15H162.1°0.5°
H18C4C5H19144.3°0.0°
H18C4C5H203.2°144.9°
H18C4C6H223.2°145.0°
H18C4C6H23144.4°0.0°
H19C5C6H22141.1°145.0°
H19C5C6H230.0°0.0°
H20C5C6H220.0°0.1°
H20C5C6H23141.1°145.1°

223532

PDB entries from 2024-08-07

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