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LRL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NC6doub1.33Å1.34ÅAromatic
NC5sing1.31Å1.33ÅAromatic
C6C7sing1.36Å1.36ÅAromatic
C5C4doub1.40Å1.41ÅAromatic
C7C8doub1.41Å1.41ÅAromatic
C4C8sing1.42Å1.42ÅAromatic
C4C3sing1.40Å1.41ÅAromatic
C8Csing1.40Å1.43ÅAromatic
C3C2doub1.36Å1.36ÅAromatic
OSdoub1.42Å1.43Å
CC1doub1.36Å1.37ÅAromatic
CSsing1.76Å1.77Å
C2C1sing1.39Å1.38ÅAromatic
SO1doub1.42Å1.43Å
SN1sing1.66Å1.61Å
N1C9sing1.47Å1.47Å
C10C11sing1.54Å1.53Å
C10C9sing1.53Å1.54Å
C10N3sing1.49Å1.48Å
C11C12sing1.54Å1.53Å
N3C13sing1.49Å1.46Å
C13C12sing1.54Å1.54Å
C13C14sing1.51Å1.52Å
C14C24doub1.38Å1.39ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C24C23sing1.38Å1.38ÅAromatic
C15C16doub1.38Å1.38ÅAromatic
C23C17doub1.39Å1.39ÅAromatic
C16C17sing1.39Å1.39ÅAromatic
C17C18sing1.48Å1.48Å
C18C19doub1.39Å1.39ÅAromatic
C18C22sing1.40Å1.39ÅAromatic
C19N2sing1.32Å1.34ÅAromatic
C22C21doub1.38Å1.38ÅAromatic
N2C20doub1.32Å1.34ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C11H3sing1.09Å1.10Å
C11H4sing1.09Å1.10Å
C7H5sing1.08Å1.08Å
C9H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
N1H9sing0.97Å1.00Å
C3H10sing1.08Å1.08Å
N3H11sing1.01Å1.00Å
C1H13sing1.08Å1.08Å
C2H14sing1.08Å1.08Å
C12H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C15H18sing1.08Å1.08Å
C16H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C20H21sing1.08Å1.08Å
C21H22sing1.08Å1.08Å
C22H23sing1.08Å1.08Å
C23H24sing1.08Å1.08Å
C24H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6NC5117.6°122.8°
NC6C7124.3°121.8°
NC6H2117.8°119.0°
NC5C4123.9°119.9°
NC5H1118.0°120.1°
C6C7C8119.2°118.7°
C7C6H2117.8°119.1°
C6C7H5120.4°120.6°
C5C4C8117.4°118.6°
C5C4C3123.3°122.1°
C4C5H1118.0°120.0°
C7C8C4117.5°118.2°
C7C8C125.0°122.2°
C8C7H5120.4°120.7°
C8C4C3119.3°119.4°
C4C8C117.6°119.6°
C4C3C2120.7°119.5°
C4C3H10119.6°120.3°
C8CC1121.2°119.5°
C8CS121.9°120.3°
C3C2C1120.9°121.1°
C2C3H10119.7°120.2°
C3C2H14119.6°119.5°
OSC108.9°106.4°
OSO1119.6°123.2°
OSN1106.8°106.4°
C1CS116.8°120.2°
CC1C2120.3°121.0°
CC1H13119.8°119.5°
CSO1107.9°106.4°
CSN1105.5°107.2°
C2C1H13119.8°119.5°
C1C2H14119.5°119.4°
O1SN1107.3°106.4°
SN1C9119.4°120.0°
SN1H9107.0°120.0°
N1C9C10111.3°109.5°
N1C9H6109.0°109.5°
N1C9H7109.0°109.4°
C9N1H9106.9°120.0°
C11C10C9111.9°110.4°
C11C10N3105.3°104.6°
C10C11C12105.9°105.1°
C10C11H3110.3°110.3°
C10C11H4110.4°110.4°
C11C10H8110.0°110.4°
C9C10N3108.7°110.4°
C10C9H6109.0°109.5°
C10C9H7109.0°109.4°
C9C10H8110.0°110.3°
C10N3C13107.2°104.2°
N3C10H8110.8°110.5°
C10N3H11110.1°111.0°
C11C12C13103.1°105.1°
C12C11H3110.4°110.3°
C12C11H4110.3°110.3°
C11C12H15111.1°110.3°
C11C12H16111.0°110.4°
N3C13C12103.0°104.6°
N3C13C14113.3°110.4°
C13N3H11110.0°111.0°
N3C13H17109.3°110.4°
C12C13C14114.1°110.4°
C13C12H15111.0°110.3°
C13C12H16111.0°110.4°
C12C13H17108.3°110.4°
C13C14C24120.8°119.9°
C13C14C15121.0°119.9°
C14C13H17108.6°110.5°
C24C14C15118.2°120.3°
C14C24C23121.0°120.1°
C14C24H25119.5°120.0°
C14C15C16121.0°120.1°
C14C15H18119.5°120.0°
C24C23C17121.1°119.9°
C24C23H24119.4°120.1°
C23C24H25119.5°119.9°
C15C16C17121.1°119.9°
C16C15H18119.5°119.9°
C15C16H19119.4°120.1°
C23C17C16117.6°119.8°
C23C17C18121.1°120.1°
C17C23H24119.5°120.0°
C16C17C18121.2°120.1°
C17C16H19119.5°120.0°
C17C18C19122.0°120.5°
C17C18C22121.4°120.5°
C19C18C22116.6°119.0°
C18C19N2124.1°120.6°
C18C19H20118.0°119.6°
C18C22C21120.3°118.3°
C18C22H23119.9°120.9°
C19N2C20117.5°121.8°
N2C19H20117.9°119.7°
C22C21C20118.3°119.3°
C22C21H22120.9°120.4°
C21C22H23119.9°120.9°
N2C20C21123.3°121.1°
N2C20H21118.4°119.5°
C21C20H21118.4°119.5°
C20C21H22120.9°120.4°
H3C11H4109.5°110.3°
H6C9H7109.5°109.5°
H15C12H16109.5°110.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NC6C7H2180.0°179.4°
C6NC5C40.3°0.1°
NC6C7C80.0°0.5°
C6NC5H1179.6°180.0°
NC6C7H5180.0°179.5°
C5NC6C70.5°0.3°
NC5C4H1180.0°179.9°
NC5C4C80.3°0.0°
NC5C4C3179.7°179.7°
C5NC6H2179.5°179.8°
C6C7C8H5180.0°180.0°
C6C7C8C40.7°0.5°
C6C7C8C179.0°179.4°
C5C4C8C70.8°0.2°
C5C4C8C3180.0°179.7°
C5C4C8C178.9°179.7°
C5C4C3C2179.8°179.7°
C5C4C3H100.2°0.3°
C7C8C4C179.7°179.9°
C7C8C4C3179.2°180.0°
C7C8CC1178.9°179.9°
C7C8CS3.1°0.1°
C8C7C6H2180.0°180.0°
C8C4C3C20.2°0.0°
C4C8CC11.4°0.0°
C4C8CS176.6°180.0°
C8C4C5H1179.7°180.0°
C4C8C7H5179.3°179.5°
C8C4C3H10179.8°180.0°
C3C4C8C1.1°0.0°
C4C3C2H10180.0°180.0°
C4C3C2C10.5°0.0°
C3C4C5H10.3°0.3°
C4C3C2H14179.5°180.0°
C8CSO48.8°49.4°
C8CC1S178.2°180.0°
C8CC1C20.8°0.0°
C8CSO182.5°177.6°
C8CSN1163.1°64.1°
CC8C7H51.0°0.6°
C8CC1H13179.2°180.0°
C3C2C1C0.1°0.1°
C3C2C1H14180.0°180.0°
C3C2C1H13179.8°179.9°
OSCC1129.4°130.5°
OSCO1131.3°133.0°
OSCN1114.3°113.5°
OSO1N1121.7°122.9°
OSN1C938.7°178.3°
OSN1H982.7°1.7°
CC1C2H13180.0°180.0°
C1CSO199.3°2.5°
C1CSN115.1°116.0°
CC1C2H14179.9°180.0°
SCC1C2177.3°179.9°
CSO1N1113.2°114.1°
CSN1C9154.5°64.8°
CSN1H933.1°115.3°
SCC1H132.7°0.1°
C1C2C3H10179.5°180.0°
O1SN1C990.7°48.7°
O1SN1H9147.9°131.2°
SN1C9H9121.4°180.0°
SN1C9C1099.1°164.6°
SN1C9H6140.6°44.6°
SN1C9H721.2°75.5°
N1C9C10C11158.4°175.0°
N1C9C10H6120.3°120.0°
N1C9C10H7120.3°119.9°
N1C9C10N385.7°59.8°
N1C9H6H7119.2°120.0°
N1C9C10H835.8°62.7°
C11C10C9N3115.9°115.2°
C11C10C9H8122.6°122.3°
C11C10N3H8119.0°118.8°
C10C11C12H3119.4°118.8°
C10C11C12H4119.5°119.0°
C11C10N3C1325.5°39.4°
C10C11C12C1321.3°0.0°
C10C11H3H4121.6°122.3°
C11C10C9H681.3°65.0°
C11C10C9H738.1°55.1°
C11C10N3H11145.1°159.0°
C10C11C12H1597.7°118.9°
C10C11C12H16140.3°119.0°
C9C10N3H8121.0°122.4°
C9C10C11C12119.4°142.7°
C9C10N3C13145.5°158.3°
C9C10C11H30.0°23.8°
C9C10C11H4121.1°98.4°
C10C9H6H7119.2°120.0°
C10C9N1H922.3°15.4°
C9C10N3H1194.8°82.1°
N3C10C11C121.5°23.8°
C10N3C13H11119.7°119.6°
C10N3C13C1239.1°39.4°
C10N3C13C14162.9°158.2°
N3C10C11H3118.0°95.0°
N3C10C11H4120.9°142.7°
N3C10C9H634.6°179.8°
N3C10C9H7154.0°60.2°
C10N3C13H1775.9°79.3°
C11C12C13N336.6°23.9°
C11C12C13H15119.0°118.9°
C11C12C13H16119.0°119.0°
C11C12C13C14159.9°142.6°
C12C11H3H4121.6°122.1°
C12C11C10H8118.0°95.1°
C11C12H15H16123.0°122.2°
C11C12C13H1779.1°94.9°
N3C13C12C14123.2°118.8°
N3C13C12H17115.7°118.8°
N3C13C14H17121.6°122.4°
N3C13C14C24160.4°141.5°
N3C13C14C1518.7°38.8°
C13N3C10H893.5°79.3°
N3C13C12H1582.4°95.1°
N3C13C12H16155.6°142.9°
C12C13C14H17120.9°122.4°
C12C13C14C2482.2°103.4°
C12C13C14C1598.7°76.3°
C13C12C11H3140.8°118.9°
C13C12C11H498.1°119.0°
C12C13N3H11158.8°159.0°
C13C12H15H16122.9°122.2°
C13C14C24C15179.1°179.7°
C13C14C24C23178.7°179.7°
C13C14C15C16178.6°180.0°
C14C13N3H1177.5°82.2°
C14C13C12H1540.9°23.7°
C14C13C12H1681.2°98.4°
C13C14C15H181.4°0.0°
C13C14C24H251.3°0.0°
C14C24C23H25180.0°179.7°
C24C14C15C160.5°0.3°
C14C24C23C170.1°0.5°
C24C14C13H1738.7°19.0°
C24C14C15H18179.5°179.7°
C14C24C23H24179.9°179.7°
C15C14C24C230.4°0.6°
C14C15C16H18180.0°180.0°
C14C15C16C170.0°0.0°
C15C14C13H17140.4°161.2°
C14C15C16H19179.9°179.9°
C15C14C24H25179.6°179.7°
C24C23C17H24180.0°179.7°
C24C23C17C160.6°0.3°
C24C23C17C18178.1°179.7°
C15C16C17C230.5°0.0°
C15C16C17H19180.0°179.9°
C15C16C17C18178.2°180.0°
C23C17C16C18178.7°180.0°
C23C17C18C19136.4°180.0°
C23C17C18C2243.2°0.0°
C23C17C16H19179.5°179.9°
C17C23C24H25179.9°179.7°
C16C17C18C1942.3°0.0°
C16C17C18C22138.2°180.0°
C17C16C15H18179.9°180.0°
C16C17C23H24179.4°180.0°
C17C18C19C22179.6°180.0°
C17C18C19N2179.5°180.0°
C17C18C22C21179.5°180.0°
C18C17C16H191.8°0.1°
C17C18C19H200.5°0.0°
C17C18C22H230.5°0.0°
C18C17C23H241.9°0.0°
C18C19N2H20180.0°180.0°
C19C18C22C210.1°0.0°
C18C19N2C200.0°0.0°
C19C18C22H23179.9°180.0°
C22C18C19N20.1°0.0°
C18C22C21H23180.0°180.0°
C18C22C21C200.0°0.1°
C22C18C19H20179.9°180.0°
C18C22C21H22180.0°180.0°
C19N2C20C210.0°0.0°
C19N2C20H21180.0°180.0°
C22C21C20N20.0°0.1°
C22C21C20H22180.0°179.9°
C22C21C20H21180.0°180.0°
N2C20C21H21180.0°179.9°
C20N2C19H20179.9°180.0°
N2C20C21H22179.9°180.0°
C20C21C22H23180.0°179.9°
H2C6C7H50.0°0.0°
H3C11C10H8122.5°146.1°
H3C11C12H1521.8°0.0°
H3C11C12H16100.3°122.1°
H4C11C10H81.4°23.9°
H4C11C12H15142.9°122.1°
H4C11C12H1620.8°0.0°
H6C9C10H8156.1°57.3°
H6C9N1H997.9°135.4°
H7C9C10H884.5°177.4°
H7C9N1H9142.6°104.6°
H8C10N3H1126.2°40.2°
H10C3C2H140.4°0.0°
H11N3C13H1743.7°40.3°
H13C1C2H140.1°0.1°
H15C12C13H17161.9°146.2°
H16C12C13H1739.9°24.1°
H18C15C16H190.1°0.1°
H21C20C21H220.1°0.1°
H22C21C22H230.0°0.0°
H24C23C24H250.1°0.0°

222624

PDB entries from 2024-07-17

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