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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C9C10doub1.36Å1.37ÅAromatic
C9C8sing1.40Å1.42ÅAromatic
C10C11sing1.39Å1.39ÅAromatic
C7C8doub1.40Å1.41ÅAromatic
C7N1sing1.31Å1.32ÅAromatic
C8C13sing1.42Å1.42ÅAromatic
N1C6doub1.33Å1.34ÅAromatic
C11C12doub1.36Å1.37ÅAromatic
C13C12sing1.40Å1.42ÅAromatic
C13C5doub1.41Å1.43ÅAromatic
C6C5sing1.38Å1.40ÅAromatic
C5Nsing1.40Å1.41Å
NC4sing1.35Å1.34Å
C4C3sing1.51Å1.52Å
C4Odoub1.21Å1.23Å
C3C2sing1.51Å1.51Å
C2C1doub1.38Å1.39ÅAromatic
C2C14sing1.38Å1.39ÅAromatic
C1Csing1.38Å1.38ÅAromatic
C14C15doub1.39Å1.40ÅAromatic
CCLsing1.74Å1.74Å
CC16doub1.38Å1.38ÅAromatic
C15C16sing1.39Å1.40ÅAromatic
C15N2sing1.40Å1.39Å
C20N2sing1.47Å1.46Å
C20C19sing1.53Å1.51Å
N2C17sing1.47Å1.46Å
C17C18sing1.53Å1.51Å
C19N3sing1.47Å1.47Å
C23C24sing1.40Å1.42ÅAromatic
C23C22doub1.37Å1.35ÅAromatic
C18N3sing1.47Å1.47Å
N3C21sing1.35Å1.34Å
C24C25doub1.35Å1.33ÅAromatic
C22C21sing1.47Å1.49Å
C22O2sing1.35Å1.37ÅAromatic
C21O1doub1.22Å1.23Å
C25O2sing1.34Å1.37ÅAromatic
C6H1sing1.08Å1.08Å
C7H2sing1.08Å1.08Å
C10H3sing1.08Å1.08Å
C17H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C20H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C24H8sing1.08Å1.08Å
C25H9sing1.08Å1.08Å
C23H10sing1.08Å1.08Å
C18H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C16H15sing1.08Å1.08Å
C14H16sing1.08Å1.08Å
C1H17sing1.08Å1.08Å
C3H18sing1.09Å1.10Å
C3H19sing1.09Å1.10Å
NH20sing0.97Å1.00Å
C12H21sing1.08Å1.08Å
C11H22sing1.08Å1.08Å
C9H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10C9C8120.6°119.5°
C9C10C11120.6°121.1°
C9C10H3119.7°119.4°
C10C9H23119.7°120.3°
C9C8C7123.1°122.0°
C9C8C13119.1°119.3°
C8C9H23119.7°120.2°
C10C11C12120.7°121.0°
C11C10H3119.7°119.5°
C10C11H22119.7°119.5°
C8C7N1124.2°120.2°
C7C8C13117.8°118.7°
C8C7H2117.9°119.9°
C7N1C6117.7°122.9°
N1C7H2117.9°119.9°
C8C13C12118.2°119.6°
C8C13C5118.0°118.2°
N1C6C5124.9°121.6°
N1C6H1117.5°119.2°
C11C12C13120.9°119.4°
C11C12H21119.6°120.3°
C12C11H22119.7°119.5°
C12C13C5123.8°122.1°
C13C12H21119.6°120.3°
C13C5C6117.4°118.4°
C13C5N118.5°120.8°
C6C5N123.3°120.8°
C5C6H1117.6°119.2°
C5NC4126.3°119.9°
C5NH20116.8°120.0°
NC4C3115.1°120.0°
NC4O123.0°120.0°
C4NH20116.8°120.0°
C3C4O121.9°120.0°
C4C3C2111.9°109.5°
C4C3H18108.8°109.5°
C4C3H19108.9°109.4°
C3C2C1120.1°120.0°
C3C2C14120.3°120.0°
C2C3H18108.9°109.5°
C2C3H19108.9°109.5°
C1C2C14119.6°120.1°
C2C1C119.4°120.1°
C2C1H17120.3°119.9°
C2C14C15120.8°120.0°
C2C14H16119.6°120.0°
C1CCL119.0°120.0°
C1CC16122.0°120.1°
CC1H17120.3°120.0°
C14C15C16118.9°119.9°
C14C15N2120.4°120.1°
C15C14H16119.6°120.0°
CLCC16119.0°120.0°
CC16C15119.3°119.9°
CC16H15120.4°120.0°
C16C15N2120.5°120.0°
C15C16H15120.3°120.1°
C15N2C20117.9°111.0°
C15N2C17114.6°111.1°
N2C20C19110.1°109.3°
C20N2C17109.6°111.4°
N2C20H6109.3°109.5°
N2C20H7109.3°109.5°
C20C19N3110.7°108.5°
C19C20H6109.3°109.7°
C19C20H7109.3°109.3°
C20C19H13109.2°109.7°
C20C19H14109.2°109.6°
N2C17C18109.7°109.3°
N2C17H4109.4°109.5°
N2C17H5109.4°109.5°
C17C18N3110.6°108.5°
C18C17H4109.4°109.5°
C18C17H5109.4°109.5°
C17C18H11109.2°109.6°
C17C18H12109.2°109.6°
C19N3C18116.4°118.3°
C19N3C21124.3°120.9°
N3C19H13109.2°109.6°
N3C19H14109.2°109.6°
C24C23C22106.6°106.7°
C23C24C25106.8°107.2°
C23C24H8126.6°126.4°
C24C23H10126.7°126.7°
C23C22C21136.7°126.0°
C23C22O2109.8°108.0°
C22C23H10126.7°126.6°
C18N3C21118.6°120.8°
N3C18H11109.2°109.7°
N3C18H12109.2°109.6°
N3C21C22120.0°119.9°
N3C21O1122.4°120.0°
C24C25O2110.7°108.7°
C25C24H8126.6°126.4°
C24C25H9124.7°125.6°
C21C22O2113.4°126.0°
C22C21O1117.6°120.0°
C22O2C25106.2°109.4°
O2C25H9124.6°125.6°
H4C17H5109.5°109.6°
H6C20H7109.5°109.5°
H11C18H12109.4°109.8°
H13C19H14109.5°109.8°
H18C3H19109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C10C9C8H23180.0°180.0°
C9C10C11H3180.0°179.9°
C10C9C8C7178.9°180.0°
C10C9C8C130.0°0.1°
C9C10C11C120.2°0.0°
C9C10C11H22179.8°180.0°
C8C9C10C110.1°0.1°
C9C8C7C13178.9°179.9°
C9C8C7N1178.6°180.0°
C9C8C13C120.5°0.0°
C9C8C13C5178.0°179.9°
C9C8C7H21.4°0.1°
C8C9C10H3179.9°180.0°
C10C11C12H22180.0°180.0°
C10C11C12C130.6°0.0°
C10C11C12H21179.4°180.0°
C11C10C9H23179.9°180.0°
C8C7N1H2180.0°179.9°
C8C7N1C60.1°0.1°
C7C8C13C12179.5°180.0°
C7C8C13C51.0°0.0°
C7C8C9H231.0°0.1°
N1C7C8C130.3°0.1°
C7N1C6C50.6°0.1°
C7N1C6H1179.4°180.0°
C8C13C12C110.8°0.0°
C8C13C12C5178.4°180.0°
C8C13C5C61.4°0.0°
C8C13C5N168.9°180.0°
C13C8C7H2179.7°180.0°
C8C13C12H21179.2°180.0°
C13C8C9H23179.9°180.0°
N1C6C5C131.3°0.0°
N1C6C5H1180.0°180.0°
N1C6C5N168.6°180.0°
C6N1C7H2179.9°180.0°
C11C12C13H21180.0°180.0°
C11C12C13C5177.6°180.0°
C12C11C10H3179.8°180.0°
C12C13C5C6179.8°180.0°
C12C13C5N9.5°0.0°
C13C12C11H22179.4°180.0°
C13C5C6N169.8°180.0°
C13C5NC490.8°146.4°
C13C5C6H1178.7°180.0°
C13C5NH2089.2°33.7°
C5C13C12H212.4°0.0°
C6C5NC478.9°33.6°
C6C5NH20101.1°146.4°
C5NC4H20180.0°179.9°
C5NC4C3179.9°174.7°
C5NC4O0.8°5.4°
NC5C6H111.5°0.0°
NC4C3O179.4°179.9°
NC4C3C2158.0°180.0°
NC4C3H1881.6°60.0°
NC4C3H1937.6°60.0°
C4C3C2H18120.4°120.0°
C4C3C2H19120.4°120.0°
C4C3C2C1108.5°90.0°
C4C3C2C1469.7°90.8°
C4C3H18H19118.9°120.0°
C3C4NH200.1°5.2°
OC4C3C222.7°0.0°
OC4C3H1897.7°120.0°
OC4C3H19143.0°120.0°
OC4NH20179.2°174.7°
C3C2C1C14178.3°179.2°
C3C2C1C177.8°180.0°
C3C2C14C15176.4°179.7°
C3C2C14H163.6°0.3°
C3C2C1H172.2°0.7°
C2C3H18H19118.9°120.0°
C2C1CH17180.0°179.3°
C1C2C14C151.9°0.5°
C2C1CCL178.1°179.4°
C2C1CC160.2°0.5°
C1C2C14H16178.1°179.5°
C1C2C3H18131.1°30.0°
C1C2C3H1911.8°150.0°
C14C2C1C0.5°0.8°
C2C14C15H16180.0°180.0°
C2C14C15C162.7°0.0°
C2C14C15N2171.5°179.7°
C14C2C1H17179.5°179.9°
C14C2C3H1850.6°149.2°
C14C2C3H19169.9°29.2°
C1CCLC16178.0°180.0°
C1CC16C150.6°0.0°
C1CC16H15179.3°180.0°
C14C15C16C2.1°0.3°
C14C15C16N2174.2°179.7°
C14C15N2C2032.7°179.7°
C14C15N2C1798.5°55.1°
C14C15C16H15177.9°179.7°
CLCC16C15177.2°180.0°
CLCC16H152.8°0.0°
CLCC1H171.9°0.2°
CC16C15H15180.0°180.0°
CC16C15N2172.1°180.0°
C16CC1H17179.8°179.8°
C16C15N2C20153.2°0.1°
C16C15N2C1775.6°124.6°
C16C15C14H16177.3°180.0°
C15N2C20C17133.4°124.4°
C15N2C20C19163.2°172.7°
C15N2C17C18161.1°172.8°
C15N2C17H441.1°67.3°
C15N2C17H578.8°52.8°
C15N2C20H676.8°52.5°
C15N2C20H743.1°67.6°
N2C15C16H157.9°0.0°
N2C15C14H168.6°0.3°
N2C20C19H6120.1°120.1°
N2C20C19H7120.1°119.8°
C20N2C17C1863.8°62.9°
N2C20C19N353.3°53.8°
C20N2C17H4176.2°57.1°
C20N2C17H556.3°177.2°
N2C20H6H7119.7°120.1°
N2C20C19H13173.5°66.0°
N2C20C19H1466.8°173.5°
C19C20N2C1763.4°62.9°
C20C19N3H13120.2°119.8°
C20C19N3H14120.2°119.7°
C20C19N3C1846.8°51.5°
C20C19N3C21142.8°128.9°
C19C20H6H7119.7°120.0°
C20C19H13H14119.5°120.4°
N2C17C18H4120.0°119.9°
N2C17C18H5120.1°120.0°
N2C17C18N354.3°53.8°
N2C17H4H5119.9°120.1°
C17N2C20H656.7°176.9°
C17N2C20H7176.5°56.8°
N2C17C18H1165.9°173.6°
N2C17C18H12174.4°65.9°
C17C18N3C1947.3°51.4°
C17C18N3H11120.2°119.7°
C17C18N3H12120.2°119.6°
C17C18N3C21141.8°128.9°
C18C17H4H5119.9°120.0°
C17C18H11H12119.5°120.4°
C19N3C18C21171.0°179.7°
C19N3C21C2228.1°6.4°
C19N3C21O1150.4°173.7°
N3C19C20H666.7°173.8°
N3C19C20H7173.4°66.0°
C19N3C18H1172.9°171.2°
C19N3C18H12167.4°68.2°
N3C19H13H14119.4°120.5°
C24C23C22H10180.0°179.6°
C23C24C25H8180.0°179.7°
C24C23C22C21175.5°179.9°
C24C23C22O20.1°0.4°
C23C24C25O20.2°0.2°
C23C24C25H9179.8°180.0°
C23C22C21N349.2°172.5°
C22C23C24C250.0°0.4°
C23C22C21O2175.5°179.7°
C23C22C21O1132.3°7.5°
C23C22O2C250.2°0.3°
C22C23C24H8180.0°179.8°
C18N3C21C22161.7°173.9°
C18N3C21O119.9°6.0°
N3C18C17H4174.3°66.1°
N3C18C17H565.8°173.8°
N3C18H11H12119.4°120.5°
C18N3C19H13166.9°68.3°
C18N3C19H1473.4°171.2°
N3C21C22O1178.6°179.9°
N3C21C22O2135.3°7.1°
C21N3C18H1198.0°9.2°
C21N3C18H1221.6°111.5°
C21N3C19H1322.6°111.4°
C21N3C19H1497.0°9.2°
C24C25O2C220.3°0.0°
C24C25O2H9180.0°179.8°
C25C24C23H10179.9°180.0°
C21C22O2C25176.5°180.0°
C21C22C23H104.5°0.2°
O2C22C21O143.3°172.8°
C22O2C25H9179.7°179.7°
O2C22C23H10179.9°179.9°
O2C25C24H8179.8°180.0°
H3C10C11H220.2°0.1°
H3C10C9H230.1°0.1°
H4C17C18H1154.1°53.6°
H4C17C18H1265.5°174.2°
H5C17C18H11174.0°66.5°
H5C17C18H1254.4°54.1°
H6C20C19H1353.4°54.1°
H6C20C19H14173.1°66.5°
H7C20C19H1366.4°174.2°
H7C20C19H1453.2°53.7°
H8C24C25H90.2°0.3°
H8C24C23H100.0°0.2°
H21C12C11H220.6°0.0°

224201

PDB entries from 2024-08-28

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