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LW4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C6sing1.35Å1.31ÅAromatic
N1C3sing1.38Å1.33ÅAromatic
C4C5sing1.48Å1.51ÅAromatic
C4C3doub1.40Å1.39ÅAromatic
C4C48sing1.39Å1.40ÅAromatic
C5C6doub1.38Å1.34ÅAromatic
C5C8sing1.46Å1.47Å
C8C13sing1.49Å1.47Å
C8C9doub1.39Å1.33Å
C10C9sing1.47Å1.46Å
C10N11sing1.34Å1.34Å
C10O15doub1.22Å1.22Å
C13N11sing1.34Å1.34Å
C13O14doub1.21Å1.22Å
C20C21doub1.42Å1.39ÅAromatic
C20C28sing1.40Å1.40ÅAromatic
C20N19sing1.34Å1.35ÅAromatic
C21C22sing1.40Å1.40ÅAromatic
C21C16sing1.46Å1.40ÅAromatic
C22C24doub1.37Å1.39ÅAromatic
C24C26sing1.39Å1.40ÅAromatic
C26C28doub1.36Å1.40ÅAromatic
C3C54sing1.39Å1.39ÅAromatic
C9C16sing1.47Å1.51Å
C16N17doub1.33Å1.34ÅAromatic
N17C18sing1.33Å1.34ÅAromatic
C18N19doub1.32Å1.35ÅAromatic
C18N30sing1.38Å1.34Å
N30C31sing1.47Å1.46Å
N30C41sing1.47Å1.46Å
C31C34sing1.53Å1.54Å
C34N37sing1.47Å1.48Å
N37C38sing1.47Å1.47Å
N37C44sing1.47Å1.48Å
C38C41sing1.53Å1.53Å
C48C50doub1.38Å1.41ÅAromatic
C50C52sing1.39Å1.41ÅAromatic
C52C54doub1.38Å1.40ÅAromatic
N1HN1sing0.97Å1.00Å
C6H6sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
N11HN11sing0.97Å1.00Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C38H38sing1.09Å1.10Å
C38H38Asing1.09Å1.10Å
C41H41sing1.09Å1.10Å
C41H41Asing1.09Å1.10Å
C44H44sing1.09Å1.10Å
C44H44Asing1.09Å1.10Å
C44H44Bsing1.09Å1.10Å
C48H48sing1.08Å1.08Å
C50H50sing1.08Å1.08Å
C52H52sing1.08Å1.08Å
C54H54sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6N1C3111.6°110.7°
N1C6C5110.1°109.5°
C6N1HN1124.2°124.6°
N1C6H6124.9°125.3°
N1C3C4109.3°107.8°
N1C3C54128.0°133.0°
C3N1HN1124.2°124.7°
C5C4C3102.7°105.9°
C5C4C48136.0°133.9°
C4C5C6106.3°106.2°
C4C5C8128.0°127.0°
C3C4C48121.3°120.2°
C4C3C54122.8°119.3°
C4C48C50116.7°119.6°
C4C48H48121.6°120.2°
C6C5C8125.7°126.9°
C5C6H6124.9°125.3°
C5C8C13127.0°127.1°
C5C8C9127.6°127.1°
C13C8C9105.3°105.8°
C8C13N11110.0°108.4°
C8C13O14124.6°125.8°
C8C9C10107.9°106.1°
C8C9C16127.2°126.9°
C9C10N11108.8°109.0°
C9C10O15124.1°125.5°
C10C9C16124.9°126.9°
N11C10O15127.1°125.5°
C10N11C13108.0°110.6°
C10N11HN11126.0°124.7°
N11C13O14125.4°125.8°
C13N11HN11126.0°124.7°
C21C20C28121.2°119.2°
C21C20N19119.7°118.6°
C20C21C22118.2°119.9°
C20C21C16117.6°117.9°
C28C20N19119.1°122.1°
C20C28C26119.9°119.6°
C20C28H28120.1°120.2°
C20N19C18121.5°121.1°
C22C21C16124.1°122.2°
C21C22C24121.4°119.4°
C21C22H22119.3°120.3°
C21C16C9122.8°121.3°
C21C16N17119.7°117.5°
C22C24C26119.6°120.9°
C24C22H22119.3°120.2°
C22C24H24120.2°119.6°
C24C26C28119.7°121.0°
C26C24H24120.2°119.5°
C24C26H26120.2°119.5°
C28C26H26120.1°119.5°
C26C28H28120.1°120.2°
C3C54C52116.6°120.0°
C3C54H54121.7°120.0°
C9C16N17117.5°121.2°
C16N17C18121.8°121.3°
N17C18N19119.6°123.6°
N17C18N30119.4°118.2°
N19C18N30120.9°118.2°
C18N30C31121.7°111.0°
C18N30C41119.5°111.0°
C31N30C41118.1°110.9°
N30C31C34102.8°109.3°
N30C31H31111.8°109.5°
N30C31H31A111.7°109.5°
N30C41C38104.8°109.4°
N30C41H41111.1°109.5°
N30C41H41A111.0°109.4°
C31C34N37111.8°109.4°
C34C31H31111.8°109.4°
C34C31H31A111.8°109.5°
C31C34H34108.7°109.5°
C31C34H34A108.7°109.4°
C34N37C38114.9°110.9°
C34N37C44112.3°111.0°
N37C34H34108.7°109.5°
N37C34H34A108.7°109.5°
C38N37C44112.7°111.0°
N37C38C41107.7°109.4°
N37C38H38110.1°109.5°
N37C38H38A110.1°109.5°
N37C44H44109.5°109.5°
N37C44H44A109.5°109.5°
N37C44H44B109.5°109.5°
C41C38H38110.1°109.5°
C41C38H38A110.1°109.5°
C38C41H41111.0°109.5°
C38C41H41A111.1°109.5°
C48C50C52121.4°120.3°
C50C48H48121.6°120.2°
C48C50H50119.3°119.8°
C50C52C54121.2°120.6°
C52C50H50119.3°119.9°
C50C52H52119.4°119.7°
C54C52H52119.4°119.7°
C52C54H54121.7°120.0°
H31C31H31A107.1°109.6°
H34C34H34A110.2°109.5°
H38C38H38A108.8°109.5°
H41C41H41A107.9°109.5°
H44C44H44A109.4°109.5°
H44C44H44B109.5°109.4°
H44AC44H44B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6N1C3HN1180.0°179.7°
N1C6C5C41.6°0.1°
C6N1C3C40.3°0.0°
N1C6C5H6180.0°179.9°
N1C6C5C8179.3°180.0°
C6N1C3C54179.3°180.0°
N1C3C4C50.6°0.0°
N1C3C4C54179.7°180.0°
N1C3C4C48179.8°179.9°
C3N1C6C51.3°0.0°
N1C3C54C52180.0°180.0°
C3N1C6H6178.7°180.0°
N1C3C54H540.0°0.0°
C5C4C3C48179.1°180.0°
C4C5C6C8177.7°179.9°
C4C5C8C13152.3°75.1°
C4C5C8C930.3°105.2°
C5C4C3C54179.7°180.0°
C5C4C48C50179.3°180.0°
C4C5C6H6178.4°180.0°
C5C4C48H480.7°0.1°
C3C4C5C61.4°0.0°
C3C4C5C8179.0°179.9°
C3C4C48C500.6°0.1°
C4C3C54C520.4°0.0°
C4C3N1HN1179.7°179.7°
C3C4C48H48179.5°179.9°
C4C3C54H54179.6°180.0°
C48C4C5C6179.7°179.9°
C48C4C5C82.1°0.0°
C48C4C3C540.5°0.0°
C4C48C50H48180.0°179.9°
C4C48C50C520.5°0.1°
C4C48C50H50179.6°179.9°
C6C5C8C1330.6°105.0°
C6C5C8C9146.9°74.6°
C5C6N1HN1178.7°179.7°
C5C8C13C9177.9°179.7°
C5C8C9C10178.1°180.0°
C5C8C13N11178.6°180.0°
C5C8C13O141.4°0.1°
C5C8C9C163.3°0.0°
C8C5C6H60.7°0.1°
C13C8C9C100.2°0.3°
C8C13N11C100.9°0.2°
C8C13N11O14180.0°179.9°
C13C8C9C16178.8°179.7°
C8C13N11HN11179.1°179.9°
C8C9C10C16178.6°180.0°
C8C9C10N110.3°0.2°
C8C9C10O15179.9°179.9°
C9C8C13N110.7°0.3°
C9C8C13O14179.3°179.8°
C8C9C16C21134.2°117.7°
C8C9C16N1744.2°62.2°
C9C10N11O15179.6°179.8°
C9C10N11C130.7°0.0°
C10C9C16C2144.2°62.2°
C10C9C16N17137.4°117.8°
C9C10N11HN11179.2°180.0°
C10N11C13HN11180.0°180.0°
C10N11C13O14179.1°179.9°
N11C10C9C16178.3°179.8°
O15C10N11C13179.7°179.8°
O15C10C9C161.3°0.0°
O15C10N11HN110.3°0.2°
O14C13N11HN110.9°0.1°
C21C20C28N19179.3°179.7°
C20C21C22C16179.4°180.0°
C20C21C22C240.3°0.0°
C21C20C28C260.1°0.0°
C20C21C16C9179.7°180.0°
C20C21C16N171.4°0.0°
C21C20N19C180.3°0.6°
C20C21C22H22179.7°180.0°
C21C20C28H28179.9°180.0°
C28C20C21C220.3°0.0°
C28C20C21C16179.7°179.9°
C20C28C26C240.1°0.0°
C20C28C26H28180.0°180.0°
C28C20N19C18179.6°179.8°
C20C28C26H26179.9°180.0°
N19C20C21C22179.6°179.7°
N19C20C21C161.0°0.3°
N19C20C28C26179.4°179.7°
C20N19C18N170.1°0.6°
C20N19C18N30177.9°179.7°
N19C20C28H280.6°0.4°
C21C22C24H22180.0°180.0°
C21C22C24C260.1°0.0°
C22C21C16C90.9°0.0°
C22C21C16N17179.2°180.0°
C21C22C24H24179.8°179.9°
C16C21C22C24179.7°180.0°
C21C16C9N17178.3°180.0°
C21C16N17C181.3°0.0°
C16C21C22H220.3°0.0°
C22C24C26H24180.0°179.9°
C22C24C26C280.1°0.0°
C22C24C26H26179.9°180.0°
C24C26C28H26180.0°180.0°
C26C24C22H22179.9°179.9°
C24C26C28H28179.9°179.9°
C28C26C24H24179.9°179.9°
C3C54C52C500.3°0.0°
C3C54C52H54180.0°180.0°
C54C3N1HN10.7°0.3°
C3C54C52H52179.7°179.9°
C9C16N17C18179.6°180.0°
C16N17C18N190.6°0.3°
C16N17C18N30178.4°180.0°
N17C18N19N30177.8°179.7°
N17C18N30C31175.1°180.0°
N17C18N30C414.7°56.2°
N19C18N30C317.1°0.3°
N19C18N30C41177.5°123.6°
C18N30C31C41170.5°123.9°
C18N30C31C34126.2°176.8°
C18N30C41C38121.8°176.8°
C18N30C31H31113.8°63.3°
C18N30C31H31A6.2°56.8°
C18N30C41H411.8°56.8°
C18N30C41H41A118.2°63.2°
N30C31C34H31120.0°119.9°
N30C31C34H31A120.0°120.0°
N30C31C34N3752.0°58.3°
C31N30C41C3867.5°59.3°
N30C31H31H31A122.7°120.1°
N30C31C34H34172.0°178.3°
N30C31C34H34A68.0°61.6°
C31N30C41H41172.5°179.3°
C31N30C41H41A52.5°60.7°
C41N30C31C3463.3°59.3°
N30C41C38N3756.8°58.3°
N30C41C38H41120.0°120.0°
N30C41C38H41A120.0°119.9°
C41N30C31H3156.7°60.6°
C41N30C31H31A176.7°179.2°
N30C41C38H38176.8°178.4°
N30C41C38H38A63.2°61.6°
N30C41H41H41A121.9°120.0°
C31C34N37H34120.0°120.0°
C31C34N37H34A120.0°119.9°
C31C34N37C3855.6°59.3°
C31C34N37C44173.8°176.8°
C34C31H31H31A122.7°120.1°
C31C34H34H34A119.1°120.0°
C34N37C38C44130.4°123.9°
C34N37C38C4156.6°59.3°
N37C34C31H3168.1°61.6°
N37C34C31H31A171.9°178.3°
N37C34H34H34A119.0°120.0°
C34N37C38H38176.6°179.3°
C34N37C38H38A63.5°60.6°
C34N37C44H44180.0°60.0°
C34N37C44H44A60.0°180.0°
C34N37C44H44B60.0°59.9°
N37C38C41H38120.0°120.0°
N37C38C41H38A120.0°119.9°
C38N37C34H34175.6°179.3°
C38N37C34H34A64.4°60.6°
N37C38H38H38A120.7°120.0°
N37C38C41H41176.8°178.3°
N37C38C41H41A63.2°61.6°
C38N37C44H4448.3°63.9°
C38N37C44H44A168.3°56.2°
C38N37C44H44B71.7°176.2°
C44N37C38C41173.0°176.8°
C44N37C34H3453.8°56.8°
C44N37C34H34A66.2°63.3°
C44N37C38H3853.0°56.8°
C44N37C38H38A67.0°63.3°
N37C44H44H44A120.0°120.1°
N37C44H44H44B120.0°120.0°
N37C44H44AH44B120.0°120.0°
C41C38H38H38A120.7°120.0°
C38C41H41H41A121.9°120.1°
C48C50C52H50180.0°180.0°
C48C50C52C540.3°0.0°
C48C50C52H52179.7°180.0°
C50C52C54H52180.0°179.9°
C52C50C48H48179.6°179.9°
C50C52C54H54179.7°180.0°
C54C52C50H50179.7°180.0°
HN1N1C6H61.3°0.3°
H22C22C24H240.1°0.0°
H24C24C26H260.1°0.1°
H26C26C28H280.1°0.0°
H31C31C34H3451.9°58.4°
H31C31C34H34A172.0°178.5°
H31AC31C34H3468.1°61.7°
H31AC31C34H34A52.0°58.4°
H38C38C41H4163.2°61.7°
H38C38C41H41A56.8°58.4°
H38AC38C41H4156.8°58.4°
H38AC38C41H41A176.8°178.5°
H44C44H44AH44B120.0°119.9°
H48C48C50H500.4°0.1°
H50C50C52H520.3°0.1°
H52C52C54H540.3°0.1°

222415

PDB entries from 2024-07-10

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