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4DL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C42C40doub1.38Å1.38ÅAromatic
C42C44sing1.39Å1.39ÅAromatic
C40C38sing1.39Å1.39ÅAromatic
C44N45sing1.37Å1.35ÅAromatic
C44C50doub1.41Å1.41ÅAromatic
N45N47sing1.40Å1.36ÅAromatic
C38C37doub1.38Å1.39ÅAromatic
C50C37sing1.41Å1.40ÅAromatic
C50C48sing1.42Å1.41ÅAromatic
N47C48doub1.30Å1.31ÅAromatic
C37N09sing1.40Å1.43Å
C11C13doub1.38Å1.37ÅAromatic
C11C10sing1.40Å1.39ÅAromatic
C13N15sing1.33Å1.34ÅAromatic
N09C10sing1.39Å1.40Å
N09C06sing1.46Å1.47Å
C10N36doub1.33Å1.33ÅAromatic
C06C03sing1.53Å1.50Å
N15C16doub1.32Å1.34ÅAromatic
O01C03sing1.43Å1.41Å
N36C16sing1.32Å1.34ÅAromatic
C16N17sing1.38Å1.35Å
N17C19sing1.40Å1.40Å
C19C34doub1.39Å1.38ÅAromatic
C19C20sing1.39Å1.39ÅAromatic
C34C33sing1.38Å1.39ÅAromatic
O32S30doub1.42Å1.43Å
C20C22doub1.38Å1.38ÅAromatic
C33S30sing1.77Å1.75Å
C33C24doub1.38Å1.37ÅAromatic
S30O31doub1.42Å1.43Å
S30N28sing1.67Å1.65Å
C22C24sing1.40Å1.39ÅAromatic
C24C25sing1.50Å1.51Å
N28C25sing1.46Å1.47Å
O01H1sing0.97Å0.95Å
C03H2sing1.09Å1.10Å
C03H3sing1.09Å1.10Å
C06H4sing1.09Å1.10Å
C06H5sing1.09Å1.10Å
C11H6sing1.08Å1.08Å
C13H7sing1.08Å1.08Å
N17H8sing0.97Å1.00Å
C20H9sing1.08Å1.08Å
C22H10sing1.08Å1.08Å
C25H11sing1.09Å1.10Å
C25H12sing1.09Å1.10Å
N28H13sing0.97Å1.00Å
C34H14sing1.08Å1.08Å
C38H15sing1.08Å1.08Å
C40H16sing1.08Å1.08Å
C42H17sing1.08Å1.08Å
N45H18sing0.97Å1.00Å
C48H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C40C42C44118.1°120.0°
C42C40C38120.9°120.7°
C42C40H16119.6°119.6°
C40C42H17121.0°120.0°
C42C44N45131.6°133.7°
C42C44C50122.5°119.7°
C44C42H17120.9°120.0°
C40C38C37120.9°120.4°
C40C38H15119.6°119.8°
C38C40H16119.6°119.7°
N45C44C50105.9°106.6°
C44N45N47111.9°108.1°
C44N45H18124.0°125.9°
C44C50C37118.0°119.5°
C44C50C48104.7°106.9°
N45N47C48106.0°109.8°
N47N45H18124.0°126.0°
C38C37C50119.5°119.6°
C38C37N09123.2°120.2°
C37C38H15119.5°119.8°
C37C50C48137.3°133.6°
C50C37N09117.2°120.2°
C50C48N47111.5°108.6°
C50C48H19124.2°125.6°
N47C48H19124.2°125.7°
C37N09C10122.5°120.0°
C37N09C06117.2°120.0°
C13C11C10115.9°118.5°
C11C13N15123.7°119.3°
C13C11H6122.0°120.7°
C11C13H7118.2°120.4°
C11C10N09121.0°120.5°
C11C10N36122.3°119.0°
C10C11H6122.1°120.7°
C13N15C16115.4°120.9°
N15C13H7118.1°120.3°
C10N09C06120.1°120.0°
N09C10N36116.7°120.5°
N09C06C03111.6°109.4°
N09C06H4108.9°109.5°
N09C06H5108.9°109.5°
C10N36C16116.8°120.6°
C06C03O01110.2°109.5°
C06C03H2109.3°109.5°
C06C03H3109.3°109.5°
C03C06H4108.9°109.5°
C03C06H5108.9°109.5°
N15C16N36125.8°121.6°
N15C16N17113.8°119.2°
C03O01H1109.5°114.0°
O01C03H2109.3°109.4°
O01C03H3109.3°109.5°
N36C16N17120.4°119.2°
C16N17C19131.9°120.0°
C16N17H8114.1°120.0°
N17C19C34123.0°120.5°
N17C19C20118.2°120.4°
C19N17H8114.1°120.0°
C34C19C20118.8°119.1°
C19C34C33120.5°119.9°
C19C34H14119.8°120.1°
C19C20C22120.0°120.5°
C19C20H9120.0°119.7°
C34C33S30125.1°132.3°
C34C33C24121.4°121.7°
C33C34H14119.7°120.0°
O32S30C33112.1°107.4°
O32S30O31117.1°124.0°
O32S30N28108.6°107.3°
C20C22C24121.4°120.8°
C22C20H9120.0°119.8°
C20C22H10119.3°119.6°
S30C33C24113.5°106.0°
C33S30O31111.7°107.3°
C33S30N2893.1°101.1°
C33C24C22117.8°118.0°
C33C24C25110.3°113.3°
O31S30N28111.7°107.4°
S30N28C25112.4°105.0°
S30N28H13108.7°127.4°
C22C24C25131.9°128.6°
C24C22H10119.3°119.6°
C24C25N28108.7°114.6°
C24C25H11109.7°108.5°
C24C25H12109.7°108.5°
N28C25H11109.7°108.4°
N28C25H12109.7°108.3°
C25N28H13108.8°127.5°
H2C03H3109.5°109.5°
H4C06H5109.5°109.5°
H11C25H12109.5°108.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C40C42C44H17180.0°180.0°
C42C40C38H16180.0°180.0°
C40C42C44N45178.8°179.9°
C40C42C44C500.7°0.2°
C42C40C38C371.6°0.0°
C42C40C38H15178.4°179.9°
C44C42C40C381.3°0.0°
C42C44N45C50178.4°179.9°
C42C44N45N47179.6°179.9°
C42C44C50C372.2°0.5°
C42C44C50C48179.7°179.8°
C44C42C40H16178.7°180.0°
C42C44N45H180.4°0.0°
C40C38C37H15180.0°179.9°
C40C38C37C500.0°0.3°
C40C38C37N09177.8°180.0°
C38C40C42H17178.7°180.0°
C44N45N47H18180.0°179.9°
N45C44C50C37179.3°179.6°
N45C44C50C481.2°0.3°
C44N45N47C480.8°0.0°
N45C44C42H171.2°0.1°
C50C44N45N471.3°0.2°
C44C50C37C381.8°0.5°
C44C50C37C48177.3°179.0°
C44C50C48N470.7°0.3°
C44C50C37N09179.7°179.8°
C50C44C42H17179.4°179.8°
C50C44N45H18178.7°179.9°
C44C50C48H19179.3°179.8°
N45N47C48C500.0°0.2°
N45N47C48H19180.0°179.9°
C38C37C50N09178.0°179.7°
C38C37C50C48179.1°179.6°
C38C37N09C10103.0°90.0°
C38C37N09C0671.1°89.9°
C37C38C40H16178.4°180.0°
C37C50C48N47178.3°179.5°
C50C37N09C1079.1°90.3°
C50C37N09C06106.8°89.7°
C50C37C38H15179.9°179.8°
C37C50C48H191.7°0.7°
C50C48N47H19180.0°179.9°
C48C50C37N092.9°0.7°
C48N47N45H18179.2°179.9°
C37N09C10C110.1°174.7°
C37N09C10C06173.9°180.0°
C37N09C10N36180.0°5.0°
C37N09C06C03101.7°90.0°
C37N09C06H418.6°150.0°
C37N09C06H5138.0°30.0°
N09C37C38H152.2°0.1°
C13C11C10H6180.0°180.0°
C11C13N15H7180.0°179.9°
C13C11C10N09179.2°180.0°
C13C11C10N360.6°0.3°
C11C13N15C162.7°0.1°
C10C11C13N151.6°0.0°
C11C10N09N36179.9°179.7°
C11C10N09C06173.8°5.3°
C11C10N36C161.5°0.5°
C10C11C13H7178.4°179.9°
C13N15C16N361.7°0.2°
C13N15C16N17177.6°180.0°
N15C13C11H6178.4°179.9°
C10N09C06C0384.1°90.0°
N09C10N36C16178.4°179.7°
C10N09C06H4155.6°30.0°
C10N09C06H536.3°150.0°
N09C10C11H60.7°0.0°
C06N09C10N366.1°175.0°
N09C06C03H4120.3°120.0°
N09C06C03H5120.3°120.0°
N09C06C03O0172.7°65.0°
N09C06C03H2167.2°55.0°
N09C06C03H347.4°175.0°
N09C06H4H5119.0°120.0°
C10N36C16N150.3°0.5°
C10N36C16N17179.6°179.7°
N36C10C11H6179.4°179.8°
C06C03O01H2120.1°120.0°
C06C03O01H3120.1°120.0°
C06C03O01H1180.0°180.0°
C06C03H2H3119.6°120.0°
C03C06H4H5119.0°120.0°
N15C16N36N17179.2°179.8°
N15C16N17C19179.9°5.6°
C16N15C13H7177.3°180.0°
N15C16N17H80.1°174.4°
O01C03H2H3119.7°120.0°
O01C03C06H447.6°175.0°
O01C03C06H5167.0°55.0°
N36C16N17C190.8°174.2°
N36C16N17H8179.2°5.9°
C16N17C19H8180.0°179.9°
C16N17C19C3416.6°142.2°
C16N17C19C20163.4°38.1°
N17C19C34C20180.0°179.7°
N17C19C34C33178.8°179.7°
N17C19C20C22179.3°180.0°
N17C19C20H90.7°0.0°
N17C19C34H141.2°0.0°
C19C34C33H14180.0°179.7°
C34C19C20C220.8°0.3°
C19C34C33S30179.6°179.8°
C19C34C33C241.3°0.6°
C34C19N17H8163.4°37.7°
C34C19C20H9179.2°179.7°
C20C19C34C331.2°0.6°
C19C20C22H9180.0°180.0°
C19C20C22C240.3°0.0°
C20C19N17H816.6°141.9°
C19C20C22H10179.7°180.0°
C20C19C34H14178.8°179.7°
C34C33S30O3259.9°68.0°
C34C33S30C24179.2°179.7°
C34C33S30O3173.8°67.4°
C34C33S30N28171.4°179.7°
C34C33C24C220.7°0.3°
C34C33C24C25179.3°179.7°
O32S30C33O31133.7°135.4°
O32S30C33N28111.5°112.3°
O32S30C33C24119.3°112.4°
O32S30O31N28126.1°126.0°
O32S30N28C25127.9°112.4°
O32S30N28H13111.6°67.6°
C20C22C24C330.2°0.0°
C20C22C24H10180.0°180.0°
C20C22C24C25179.8°180.0°
C33S30O31N28102.7°108.0°
S30C33C24C22180.0°180.0°
S30C33C24C250.1°0.0°
C33S30N28C2513.3°0.0°
C33S30N28H13133.8°180.0°
S30C33C34H140.4°0.1°
C24C33S30O31107.0°112.3°
C24C33S30N287.8°0.0°
C33C24C22C25180.0°180.0°
C33C24C25N289.3°0.0°
C33C24C22H10179.7°180.0°
C33C24C25H11129.2°121.3°
C33C24C25H12110.5°121.2°
C24C33C34H14178.8°179.7°
O31S30N28C25101.5°112.2°
O31S30N28H1319.0°67.7°
S30N28C25C2415.3°0.0°
S30N28C25H13120.4°180.0°
S30N28C25H11135.2°121.4°
S30N28C25H12104.6°121.2°
C22C24C25N28170.7°180.0°
C24C22C20H9179.7°180.0°
C22C24C25H1150.8°58.7°
C22C24C25H1269.4°58.9°
C24C25N28H11119.9°121.3°
C24C25N28H12119.9°121.3°
C25C24C22H100.2°0.0°
C24C25H11H12120.4°117.6°
C24C25N28H13135.7°180.0°
N28C25H11H12120.4°117.4°
H1O01C03H259.9°60.0°
H1O01C03H359.9°60.0°
H2C03C06H472.5°65.0°
H2C03C06H546.8°175.0°
H3C03C06H4167.7°55.0°
H3C03C06H572.9°65.0°
H6C11C13H71.6°0.0°
H9C20C22H100.3°0.1°
H11C25N28H13104.4°58.7°
H12C25N28H1315.8°58.7°
H15C38C40H161.6°0.0°
H16C40C42H171.3°0.0°

227344

PDB entries from 2024-11-13

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