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T3H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C31N30sing1.47Å1.48Å
N29N30sing1.29Å1.35ÅAromatic
N29N28doub1.28Å1.37ÅAromatic
N30C26sing1.37Å1.34ÅAromatic
N28C27sing1.33Å1.33ÅAromatic
C01N02sing1.47Å1.49Å
C26C27doub1.37Å1.39ÅAromatic
C26C25sing1.47Å1.37Å
N32C25doub1.31Å1.33ÅAromatic
N32C33sing1.36Å1.33ÅAromatic
N02C03doub1.30Å1.28Å
C25N24sing1.37Å1.34ÅAromatic
C33C34doub1.40Å1.40ÅAromatic
C33C23sing1.41Å1.38ÅAromatic
N24C23sing1.38Å1.36ÅAromatic
C34C20sing1.38Å1.37ÅAromatic
C03N04sing1.37Å1.48Å
C03N06sing1.38Å1.49Å
N04C05sing1.47Å1.47Å
C23C22doub1.39Å1.42ÅAromatic
C08C09doub1.38Å1.38ÅAromatic
C08C07sing1.39Å1.39ÅAromatic
C20C19sing1.51Å1.56Å
C20C21doub1.39Å1.42ÅAromatic
C19N18sing1.46Å1.48Å
C09C10sing1.39Å1.40ÅAromatic
O17C16doub1.21Å1.16Å
N06C07sing1.40Å1.48Å
C22C21sing1.38Å1.42ÅAromatic
C07C36doub1.39Å1.40ÅAromatic
C12N11sing1.48Å1.63Å
C12C13sing1.55Å1.35Å
C10N11sing1.40Å1.46Å
C10C35doub1.39Å1.40ÅAromatic
C16N18sing1.35Å1.45Å
C16C15sing1.51Å1.55Å
N11C15sing1.47Å1.33Å
C13C14sing1.55Å1.55Å
C36C35sing1.38Å1.40ÅAromatic
C15C14sing1.54Å1.58Å
C12H122sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C05H053sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
C31H311sing1.09Å1.10Å
C31H313sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C34H341sing1.08Å1.08Å
C35H351sing1.08Å1.08Å
C36H361sing1.08Å1.08Å
N04H041sing0.97Å1.00Å
N06H061sing0.97Å1.00Å
N18H181sing0.97Å1.00Å
N24H241sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C31N30N29123.1°126.0°
C31N30C26129.9°126.0°
N30C31H311109.5°109.5°
N30C31H313109.5°109.5°
N30C31H312109.5°109.5°
N30N29N28108.8°110.6°
N29N30C26107.0°108.0°
N29N28C27108.3°109.4°
N30C26C27108.9°105.6°
N30C26C25126.4°127.2°
N28C27C26107.1°106.4°
N28C27H271126.5°126.8°
C01N02C03121.1°120.0°
N02C01H012109.5°109.5°
N02C01H011109.5°109.4°
N02C01H013109.5°109.5°
C27C26C25124.7°127.1°
C26C27H271126.5°126.8°
C26C25N32124.4°125.2°
C26C25N24124.9°125.1°
C25N32C33105.7°109.6°
N32C25N24110.7°109.8°
N32C33C34127.6°133.4°
N32C33C23111.2°107.2°
N02C03N04122.2°120.0°
N02C03N06122.1°120.0°
C25N24C23108.1°107.1°
C25N24H241125.9°126.4°
C34C33C23121.2°119.4°
C33C34C20119.0°119.8°
C33C34H341120.5°120.1°
C33C23N24104.4°106.2°
C33C23C22120.5°119.9°
N24C23C22135.1°133.8°
C23N24H241126.0°126.5°
C34C20C19110.5°119.7°
C34C20C21122.5°120.5°
C20C34H341120.5°120.1°
N04C03N06115.8°120.0°
C03N04C05118.8°120.0°
C03N04H041120.6°120.0°
C03N06C07124.1°120.0°
C03N06H061117.9°119.9°
N04C05H053109.5°109.5°
N04C05H051109.5°109.5°
N04C05H052109.4°109.5°
C05N04H041120.6°120.0°
C23C22C21118.5°119.8°
C23C22H221120.7°120.1°
C09C08C07120.1°120.0°
C08C09C10119.4°120.0°
C09C08H081120.0°120.1°
C08C09H091120.3°119.9°
C08C07N06116.5°120.0°
C08C07C36120.8°120.0°
C07C08H081120.0°120.0°
C19C20C21127.0°119.8°
C20C19N18113.2°109.5°
C20C19H191108.5°109.5°
C20C19H192108.6°109.4°
C20C21C22118.2°120.5°
C20C21H211120.9°119.7°
C19N18C16114.0°120.0°
N18C19H191108.5°109.5°
N18C19H192108.5°109.5°
C19N18H181123.0°120.0°
C09C10N11118.0°120.0°
C09C10C35120.8°120.0°
C10C09H091120.3°120.0°
O17C16N18119.1°120.0°
O17C16C15121.5°120.0°
N06C07C36122.6°120.1°
C07N06H061117.9°120.1°
C22C21H211120.9°119.8°
C21C22H221120.7°120.0°
C07C36C35119.3°120.1°
C07C36H361120.3°120.0°
N11C12C13107.5°104.8°
C12N11C10123.9°111.0°
C12N11C15107.6°108.5°
N11C12H122110.0°110.4°
N11C12H121110.0°110.4°
C12C13C14105.4°101.6°
C13C12H122110.0°110.4°
C13C12H121109.9°110.4°
C12C13H132110.5°111.0°
C12C13H131110.5°111.0°
N11C10C35121.2°120.0°
C10N11C15124.1°111.0°
C10C35C36119.6°120.0°
C10C35H351120.2°120.0°
N18C16C15119.4°120.0°
C16N18H181123.0°120.0°
C16C15N11104.9°110.0°
C16C15C14110.2°109.9°
C16C15H151110.1°109.9°
N11C15C14108.0°107.2°
N11C15H151113.7°109.9°
C13C14C15104.6°103.0°
C14C13H132110.5°111.0°
C14C13H131110.5°111.0°
C13C14H142110.7°110.7°
C13C14H141110.7°110.7°
C36C35H351120.2°120.0°
C35C36H361120.3°119.9°
C15C14H142110.7°110.7°
C15C14H141110.7°110.9°
C14C15H151109.9°109.9°
H122C12H121109.4°110.4°
H132C13H131109.5°110.9°
H142C14H141109.5°110.6°
H191C19H192109.5°109.4°
H012C01H011109.4°109.5°
H012C01H013109.5°109.5°
H011C01H013109.5°109.5°
H053C05H051109.4°109.5°
H053C05H052109.5°109.5°
H051C05H052109.5°109.4°
H311C31H313109.4°109.5°
H311C31H312109.5°109.5°
H313C31H312109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C31N30N29C26178.9°179.6°
C31N30N29N28179.9°180.0°
C31N30C26C27179.8°180.0°
C31N30C26C250.0°0.3°
N30C31H311H313120.0°120.0°
N30C31H311H312120.0°120.0°
N30C31H313H312120.0°120.0°
N30N29N28C270.6°0.2°
N29N30C26C271.4°0.4°
N29N30C26C25178.8°179.9°
N29N30C31H3110.0°96.2°
N29N30C31H313120.0°143.8°
N29N30C31H312120.0°23.8°
N28N29N30C261.3°0.4°
N29N28C27C260.3°0.0°
N29N28C27H271179.7°179.9°
N30C26C27N281.0°0.2°
N30C26C27C25179.8°179.7°
N30C26C25N322.3°175.6°
N30C26C25N24179.9°4.0°
N30C26C27H271179.0°179.8°
C26N30C31H311178.6°84.2°
C26N30C31H31358.6°35.8°
C26N30C31H31261.4°155.7°
N28C27C26H271180.0°179.9°
N28C27C26C25179.2°179.9°
C01N02C03N040.4°5.2°
C01N02C03N06178.9°174.8°
N02C01H012H011120.0°120.0°
N02C01H012H013120.0°120.0°
N02C01H011H013120.0°120.0°
C27C26C25N32178.0°4.8°
C27C26C25N240.3°175.6°
C26C25N32N24178.0°179.7°
C26C25N32C33178.5°179.8°
C26C25N24C23179.1°180.0°
C25C26C27H2710.8°0.1°
C26C25N24H2410.9°0.3°
C25N32C33C34178.8°179.9°
C25N32C33C230.2°0.1°
N32C25N24C231.1°0.2°
N32C25N24H241178.9°180.0°
C33N32C25N240.6°0.1°
N32C33C34C23178.5°180.0°
N32C33C23N240.9°0.2°
N32C33C34C20179.8°180.0°
N32C33C23C22179.8°180.0°
N32C33C34H3410.2°0.0°
N02C03N04N06178.6°179.9°
N02C03N04C05179.9°174.8°
N02C03N06C074.6°6.1°
C03N02C01H012180.0°56.4°
C03N02C01H01160.0°63.7°
C03N02C01H01360.0°176.4°
N02C03N04H0410.2°5.3°
N02C03N06H061175.4°174.0°
C25N24C23C331.2°0.3°
C25N24C23H241180.0°179.8°
C25N24C23C22179.6°180.0°
C34C33C23N24179.6°179.7°
C33C34C20H341180.0°180.0°
C34C33C23C221.1°0.0°
C33C34C20C19179.3°179.9°
C33C34C20C211.2°0.1°
C33C23N24C22179.2°179.7°
C23C33C34C201.4°0.0°
C33C23C22C210.6°0.0°
C33C23C22H221179.3°180.0°
C23C33C34H341178.6°180.0°
C33C23N24H241178.9°180.0°
N24C23C22C21179.7°179.7°
N24C23C22H2210.3°0.3°
C34C20C19C21179.5°179.9°
C34C20C19N18171.4°89.9°
C34C20C21C220.7°0.1°
C34C20C19H19150.9°30.1°
C34C20C19H19268.0°150.1°
C34C20C21H211179.3°179.9°
C03N04C05H041180.0°179.9°
N04C03N06C07176.8°174.0°
C03N04C05H053180.0°55.6°
C03N04C05H05160.0°64.4°
C03N04C05H05260.0°175.7°
N04C03N06H0613.2°5.9°
N06C03N04C051.2°5.3°
C03N06C07C0850.1°143.6°
C03N06C07H061180.0°179.9°
C03N06C07C36134.5°36.1°
N06C03N04H041178.8°174.6°
N04C05H053H051120.0°120.0°
N04C05H053H052120.0°120.1°
N04C05H051H052120.0°119.9°
C23C22C21C200.4°0.1°
C23C22C21H221180.0°180.0°
C23C22C21H211179.6°179.9°
C22C23N24H2410.3°0.2°
C09C08C07H081180.0°179.9°
C08C09C10H091180.0°180.0°
C09C08C07N06177.8°179.8°
C09C08C07C362.3°0.0°
C08C09C10N11179.2°180.0°
C08C09C10C350.1°0.0°
C07C08C09C101.1°0.0°
C08C07N06C36175.4°179.7°
C08C07C36C352.2°0.0°
C07C08C09H091178.9°180.0°
C08C07C36H361177.8°180.0°
C08C07N06H061129.9°36.5°
C20C19N18H191120.6°120.0°
C20C19N18H192120.6°120.0°
C19C20C21C22179.8°180.0°
C20C19N18C16167.4°180.0°
C20C19H191H192118.3°119.9°
C19C20C21H2110.1°0.0°
C19C20C34H3410.7°0.1°
C20C19N18H18112.6°0.0°
C21C20C19N188.1°90.0°
C20C21C22H211180.0°180.0°
C21C20C19H191128.6°150.0°
C21C20C19H192112.5°30.1°
C20C21C22H221179.6°179.9°
C21C20C34H341178.8°179.9°
C19N18C16O171.4°0.0°
C19N18C16H181180.0°180.0°
C19N18C16C15179.4°180.0°
N18C19H191H192118.3°120.0°
C09C10N11C1219.0°160.2°
C09C10N11C35179.1°180.0°
C09C10N11C15172.5°39.3°
C09C10C35C360.1°0.0°
C10C09C08H081178.9°180.0°
C09C10C35H351179.8°180.0°
O17C16N18C15178.0°180.0°
O17C16C15N1182.5°0.7°
O17C16C15C1433.5°118.6°
O17C16C15H151154.9°120.4°
O17C16N18H181178.6°180.0°
N06C07C36C35177.4°179.8°
N06C07C08H0812.2°0.3°
N06C07C36H3612.6°0.3°
C07C36C35C101.0°0.0°
C07C36C35H361180.0°179.9°
C36C07C08H081177.7°180.0°
C07C36C35H351179.0°180.0°
C36C07N06H06145.5°143.8°
N11C12C13H122119.7°118.9°
N11C12C13H121119.7°118.8°
C12N11C10C15153.6°120.8°
C12N11C10C35160.1°19.8°
C12N11C15C16117.4°120.5°
N11C12C13C1425.3°37.1°
C12N11C15C140.2°1.0°
N11C12H122H121120.9°122.3°
N11C12C13H132144.7°155.2°
N11C12C13H13194.1°81.0°
C12N11C15H151122.3°118.4°
C13C12N11C10174.1°146.4°
C13C12N11C1516.9°24.1°
C12C13C14H132119.4°118.1°
C12C13C14H131119.4°118.1°
C12C13C14C1525.4°35.6°
C13C12H122H121120.9°122.3°
C12C13H132H131121.9°123.9°
C12C13C14H14293.8°82.8°
C12C13C14H141144.6°154.2°
C10N11C15C1685.5°117.3°
N11C10C35C36179.2°180.0°
C10N11C15C14157.0°123.3°
C10N11C12H12254.4°94.8°
C10N11C12H12166.2°27.5°
C10N11C15H15134.9°3.9°
N11C10C09H0910.8°0.0°
N11C10C35H3510.8°0.0°
C35C10N11C156.6°140.6°
C10C35C36H351180.0°180.0°
C35C10C09H091179.9°180.0°
C10C35C36H361179.0°180.0°
N18C16C15N1195.5°179.3°
N18C16C15C14148.5°61.4°
N18C16C15H15127.1°59.6°
C16N18C19H19146.8°60.0°
C16N18C19H19272.1°60.0°
C16C15N11C14117.5°119.5°
C16C15N11H151120.3°121.1°
C16C15C14C1399.3°97.3°
C16C15C14H151121.5°121.0°
C16C15C14H142141.5°144.3°
C16C15C14H14120.0°21.1°
C15C16N18H1810.6°0.0°
N11C15C14C1314.7°22.3°
N11C15C14H151124.5°119.4°
C15N11C12H122102.8°143.0°
C15N11C12H121136.6°94.8°
N11C15C14H142104.5°96.1°
N11C15C14H141134.0°140.7°
C13C14C15H142119.2°118.4°
C13C14C15H141119.2°118.4°
C14C13C12H12294.4°155.9°
C14C13C12H121145.0°81.8°
C14C13H132H131121.9°123.9°
C13C14H142H141122.3°123.1°
C13C14C15H151139.2°141.7°
C15C14C13H132144.8°153.8°
C15C14C13H13194.0°82.4°
C15C14H142H141122.2°123.3°
H122C12C13H13225.0°85.9°
H122C12C13H131146.2°37.9°
H121C12C13H13295.6°36.3°
H121C12C13H13125.7°160.2°
H132C13C14H14225.5°35.4°
H132C13C14H14196.0°87.7°
H131C13C14H142146.8°159.2°
H131C13C14H14125.3°36.1°
H142C14C15H15120.0°23.3°
H141C14C15H151101.5°99.9°
H191C19N18H181133.2°120.1°
H192C19N18H181107.9°120.0°
H012C01H011H013120.0°120.1°
H053C05H051H052120.0°120.0°
H053C05N04H0410.0°124.2°
H051C05N04H041120.0°115.7°
H052C05N04H041120.1°4.2°
H081C08C09H0911.1°0.1°
H211C21C22H2210.4°0.1°
H311C31H313H312120.0°120.0°
H351C35C36H3611.0°0.0°

223790

PDB entries from 2024-08-14

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