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K21

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.39ÅAromatic
C1C6sing1.39Å1.41ÅAromatic
C1O58sing1.36Å1.41Å
C2C3sing1.38Å1.40ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.38Å1.39ÅAromatic
C3C10sing1.51Å1.50Å
C4C5sing1.39Å1.40ÅAromatic
C4S14sing1.77Å1.81Å
C5C6doub1.38Å1.41ÅAromatic
C5H5sing1.08Å1.10Å
C6H6sing1.08Å1.10Å
C10N11sing1.47Å1.49Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
N11C12sing1.45Å1.49Å
N11C21sing1.35Å1.37Å
C12C13sing1.52Å1.54Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C13S14sing1.82Å1.81Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.12Å
C21C22sing1.51Å1.56Å
C21O23doub1.21Å1.23Å
C22C24sing1.53Å1.56Å
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.12Å
C24N27sing1.47Å1.49Å
C24H241sing1.09Å1.11Å
C24H242sing1.09Å1.12Å
N27C30sing1.47Å1.49Å
N27C34sing1.47Å1.48Å
C30C31sing1.53Å1.55Å
C30H301sing1.09Å1.12Å
C30H302sing1.09Å1.12Å
C31C32sing1.53Å1.55Å
C31H311sing1.09Å1.11Å
C31H312sing1.09Å1.12Å
C32C33sing1.53Å1.54Å
C32C43sing1.53Å1.54Å
C32H32sing1.09Å1.11Å
C33C34sing1.53Å1.52Å
C33H331sing1.09Å1.11Å
C33H332sing1.09Å1.12Å
C34H341sing1.09Å1.11Å
C34H342sing1.09Å1.11Å
C43C52sing1.51Å1.49Å
C43H431sing1.09Å1.12Å
C43H432sing1.09Å1.12Å
C45C48doub1.38Å1.39ÅAromatic
C45C52sing1.38Å1.39ÅAromatic
C45H45sing1.08Å1.10Å
C48C49sing1.38Å1.39ÅAromatic
C48H48sing1.08Å1.10Å
C49C50doub1.38Å1.40ÅAromatic
C49H49sing1.08Å1.10Å
C50C51sing1.38Å1.39ÅAromatic
C50H50sing1.08Å1.10Å
C51C52doub1.38Å1.39ÅAromatic
C51H51sing1.08Å1.10Å
O58C59sing1.43Å1.42Å
C59H591sing1.09Å1.12Å
C59H592sing1.09Å1.11Å
C59H593sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6117.8°120.2°
C2C1O58116.5°119.9°
C1C2C3120.7°119.8°
C1C2H2119.2°120.1°
C6C1O58125.7°119.8°
C1C6C5121.5°119.9°
C1C6H6119.1°120.0°
C1O58C59116.6°106.9°
C3C2H2120.0°120.1°
C2C3C4121.0°119.9°
C2C3C10120.8°119.6°
C4C3C10118.2°120.5°
C3C4C5119.0°120.6°
C3C4S14117.5°119.4°
C3C10N11119.6°108.8°
C3C10H101108.6°109.6°
C3C10H102108.6°109.6°
C5C4S14123.5°120.0°
C4C5C6119.5°119.5°
C4C5H5119.9°120.2°
C4S14C1391.8°99.3°
C6C5H5120.7°120.2°
C5C6H6119.3°120.0°
N11C10H101108.6°109.6°
N11C10H102108.6°109.6°
C10N11C12121.3°121.1°
C10N11C21121.1°119.4°
H101C10H102101.4°109.6°
C12N11C21116.7°119.5°
N11C12C13119.1°113.9°
N11C12H121108.7°108.6°
N11C12H122108.7°108.6°
N11C21C22117.8°120.0°
N11C21O23122.2°120.1°
C13C12H121108.8°108.6°
C13C12H122108.8°108.6°
C12C13S14114.4°109.9°
C12C13H131110.4°109.4°
C12C13H132110.4°109.4°
H121C12H122101.3°108.4°
S14C13H131110.4°109.4°
S14C13H132110.4°109.4°
H131C13H13299.8°109.4°
C22C21O23119.9°119.9°
C21C22C24122.0°109.5°
C21C22H221107.8°109.5°
C21C22H222107.8°109.4°
C24C22H221107.8°109.5°
C24C22H222107.7°109.4°
C22C24N27122.1°109.5°
C22C24H241107.7°109.4°
C22C24H242107.7°109.4°
H221C22H222102.1°109.5°
N27C24H241107.7°109.5°
N27C24H242107.7°109.5°
C24N27C30113.5°106.7°
C24N27C34115.7°106.7°
H241C24H242102.1°109.5°
C30N27C34109.7°107.3°
N27C30C31113.3°109.8°
N27C30H301110.8°109.4°
N27C30H302110.8°109.4°
N27C34C33116.3°109.8°
N27C34H341109.7°109.4°
N27C34H342109.7°109.4°
C31C30H301110.8°109.5°
C31C30H302110.9°109.4°
C30C31C32112.2°109.2°
C30C31H311111.2°109.5°
C30C31H312111.2°109.5°
H301C30H30299.4°109.3°
C32C31H311111.2°109.5°
C32C31H312111.2°109.5°
C31C32C33110.3°108.9°
C31C32C43112.4°109.6°
C31C32H32106.7°109.6°
H311C31H31299.2°109.5°
C33C32C43108.8°109.6°
C33C32H32110.4°109.6°
C32C33C34110.3°109.2°
C32C33H331111.9°109.5°
C32C33H332111.9°109.6°
C43C32H32108.2°109.6°
C32C43C52110.2°109.5°
C32C43H431111.9°109.5°
C32C43H432111.9°109.5°
C34C33H331111.9°109.5°
C34C33H332111.9°109.5°
C33C34H341109.7°109.4°
C33C34H342109.7°109.4°
H331C33H33298.5°109.6°
H341C34H342100.5°109.3°
C52C43H431112.0°109.5°
C52C43H432112.0°109.4°
C43C52C45120.4°120.0°
C43C52C51119.5°120.1°
H431C43H43298.4°109.4°
C48C45C52120.4°120.0°
C48C45H45119.9°120.0°
C45C48C49119.7°120.0°
C45C48H48120.1°120.0°
C52C45H45119.7°120.0°
C45C52C51120.0°119.9°
C49C48H48120.2°120.0°
C48C49C50119.8°120.0°
C48C49H49119.8°120.0°
C50C49H49120.3°120.0°
C49C50C51120.2°120.0°
C49C50H50120.3°120.0°
C51C50H50119.5°120.0°
C50C51C52119.8°120.1°
C50C51H51120.0°120.0°
C52C51H51120.2°120.0°
O58C59H591116.5°109.5°
O58C59H592109.6°109.5°
O58C59H593109.6°109.4°
H591C59H592109.7°109.5°
H591C59H593109.7°109.4°
H592C59H593100.6°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6O58179.1°179.8°
C1C2C3H2180.0°179.8°
C1C2C3C43.5°0.8°
C1C2C3C10177.6°179.3°
C2C1C6C55.6°0.0°
C2C1C6H6174.4°180.0°
C2C1O58C59169.1°179.7°
C6C1C2C32.9°0.5°
C6C1C2H2177.1°179.8°
C1C6C5C41.9°0.2°
C1C6C5H6180.0°179.9°
C1C6C5H5178.1°179.9°
C6C1O58C5910.1°0.1°
O58C1C2C3176.3°179.8°
O58C1C2H23.7°0.0°
O58C1C6C5173.6°179.7°
O58C1C6H66.4°0.2°
C1O58C59H591180.0°180.0°
C1O58C59H59254.8°59.9°
C1O58C59H59354.7°60.1°
C2C3C4C10179.0°179.9°
C2C3C4C57.2°0.7°
C2C3C4S14173.3°179.1°
C2C3C10N11108.2°108.2°
C2C3C10H101126.5°11.6°
C2C3C10H10217.0°132.0°
H2C2C3C4176.6°179.4°
H2C2C3C102.4°0.5°
C3C4C5S14179.6°179.8°
C3C4C5C64.5°0.2°
C3C4C5H5175.5°179.8°
C4C3C10N1172.8°71.9°
C4C3C10H10152.5°168.3°
C4C3C10H102162.0°47.9°
C3C4S14C1376.2°68.8°
C10C3C4C5173.8°179.4°
C10C3C4S145.7°0.8°
C3C10N11H101125.3°119.8°
C3C10N11H102125.3°119.9°
C3C10H101H102114.3°120.4°
C3C10N11C1266.7°88.5°
C3C10N11C21124.3°91.6°
C4C5C6H5180.0°179.9°
C4C5C6H6178.1°179.9°
C5C4S14C13103.4°111.4°
S14C4C5C6176.0°179.6°
S14C4C5H54.0°0.5°
C4S14C13C1289.6°83.7°
C4S14C13H131145.1°36.3°
C4S14C13H13235.7°156.1°
H5C5C6H61.9°0.1°
N11C10H101H102114.2°120.3°
C10N11C12C21169.5°180.0°
C10N11C12C1331.5°66.8°
C10N11C12H12193.8°172.1°
C10N11C12H122156.8°54.3°
C10N11C21C2224.8°179.9°
C10N11C21O23158.2°0.0°
H101C10N11C1258.7°151.7°
H101C10N11C21110.3°28.3°
H102C10N11C12168.1°31.4°
H102C10N11C211.0°148.6°
N11C12C13H121125.3°121.2°
N11C12C13H122125.3°121.1°
N11C12H121H122114.4°117.8°
N11C12C13S1453.6°65.7°
N11C12C13H131178.9°54.4°
N11C12C13H13271.7°174.1°
C12N11C21C22165.7°0.1°
C12N11C21O2311.3°180.0°
C21N11C12C13159.0°113.2°
C21N11C12H12175.7°7.9°
C21N11C12H12233.7°125.7°
N11C21C22O23177.0°179.9°
N11C21C22C2475.9°180.0°
N11C21C22H22149.4°59.9°
N11C21C22H222158.8°60.1°
C13C12H121H122114.5°117.8°
C12C13S14H131125.3°120.1°
C12C13S14H132125.3°120.1°
C12C13H131H132116.2°119.8°
H121C12C13S1471.7°173.1°
H121C12C13H13153.6°66.8°
H121C12C13H132163.1°53.0°
H122C12C13S14178.8°55.4°
H122C12C13H13155.9°175.5°
H122C12C13H13253.6°64.7°
S14C13H131H132116.3°119.8°
C21C22C24H221125.3°120.0°
C21C22C24H222125.3°120.0°
C21C22H221H222113.3°120.0°
C21C22C24N2722.1°179.9°
C21C22C24H241103.2°60.0°
C21C22C24H242147.3°60.0°
O23C21C22C24107.1°0.0°
O23C21C22H221127.6°120.0°
O23C21C22H22218.2°120.0°
C24C22H221H222113.3°120.0°
C22C24N27H241125.3°119.9°
C22C24N27H242125.3°120.0°
C22C24H241H242113.3°119.9°
C22C24N27C30155.7°180.0°
C22C24N27C3476.1°65.6°
H221C22C24N27147.3°60.0°
H221C22C24H24122.1°180.0°
H221C22C24H24287.4°60.0°
H222C22C24N27103.2°60.0°
H222C22C24H241131.5°60.0°
H222C22C24H24222.0°180.0°
N27C24H241H242113.2°120.1°
C24N27C30C34131.2°114.0°
C24N27C30C31100.6°179.7°
C24N27C30H30124.6°60.2°
C24N27C30H302134.1°59.6°
C24N27C34C33160.8°179.6°
C24N27C34H34174.0°59.6°
C24N27C34H34235.5°60.2°
H241C24N27C3079.0°60.1°
H241C24N27C3449.2°174.5°
H242C24N27C3030.5°60.0°
H242C24N27C34158.6°54.4°
N27C30C31H301125.3°120.1°
N27C30C31H302125.3°120.1°
N27C30H301H302116.7°119.8°
N27C30C31C3262.6°61.4°
N27C30C31H31162.7°58.5°
N27C30C31H312172.2°178.6°
C30N27C34C3330.8°65.6°
C30N27C34H341156.0°54.5°
C30N27C34H34294.5°174.2°
C34N27C30C3130.6°65.7°
C34N27C30H301155.9°174.2°
C34N27C30H30294.7°54.5°
N27C34C33C3264.3°61.4°
N27C34C33H341125.2°120.1°
N27C34C33H342125.2°120.1°
N27C34C33H331170.4°58.5°
N27C34C33H33260.9°178.6°
N27C34H341H342115.5°119.9°
C31C30H301H302116.7°119.8°
C30C31C32H311125.2°119.9°
C30C31C32H312125.2°119.9°
C30C31H311H312117.1°120.1°
C30C31C32C3327.6°55.6°
C30C31C32C4394.0°175.4°
C30C31C32H32147.5°64.3°
H301C30C31C32172.1°178.5°
H301C30C31H31162.6°61.6°
H301C30C31H31246.9°58.5°
H302C30C31C3262.7°58.7°
H302C30C31H311172.0°178.6°
H302C30C31H31262.5°61.2°
C32C31H311H312117.1°120.2°
C31C32C33C43123.7°119.9°
C31C32C33H32117.7°119.8°
C31C32C43H32117.5°120.3°
C31C32C33C3429.2°55.6°
C31C32C33H331154.5°64.3°
C31C32C33H33296.1°175.5°
C31C32C43C52140.2°180.0°
C31C32C43H43114.9°59.9°
C31C32C43H43294.5°60.0°
H311C31C32C3397.6°64.3°
H311C31C32C43140.7°55.5°
H311C31C32H3222.3°175.8°
H312C31C32C33152.8°175.5°
H312C31C32C4331.2°64.6°
H312C31C32H3287.2°55.7°
C33C32C43H32120.0°120.2°
C32C33C34H331125.3°119.9°
C32C33C34H332125.2°120.0°
C32C33H331H332117.8°120.2°
C32C33C34H341170.5°58.7°
C32C33C34H34260.9°178.5°
C33C32C43C5297.4°60.5°
C33C32C43H431137.3°59.5°
C33C32C43H43227.9°179.5°
C43C32C33C34152.9°175.4°
C43C32C33H33181.8°55.6°
C43C32C33H33227.7°64.6°
C32C43C52H431125.3°120.1°
C32C43C52H432125.3°120.0°
C32C43H431H432117.8°120.0°
C32C43C52C4571.8°90.0°
C32C43C52C51105.3°90.3°
H32C32C33C3488.5°64.3°
H32C32C33H33136.8°175.8°
H32C32C33H332146.3°55.6°
H32C32C43C5222.6°59.7°
H32C32C43H431102.7°179.8°
H32C32C43H432147.9°60.3°
C34C33H331H332117.8°120.1°
C33C34H341H342115.6°119.9°
H331C33C34H34145.2°178.6°
H331C33C34H34264.4°61.6°
H332C33C34H34164.3°61.3°
H332C33C34H342173.9°58.5°
C52C43H431H432117.9°119.9°
C43C52C45C48174.3°180.0°
C43C52C45C51177.1°179.8°
C43C52C45H455.7°0.0°
C43C52C51C50173.7°179.8°
C43C52C51H516.4°0.2°
H431C43C52C45162.9°30.1°
H431C43C52C5120.0°149.7°
H432C43C52C4553.4°150.0°
H432C43C52C51129.5°29.7°
C48C45C52H45180.0°180.0°
C45C48C49H48179.9°180.0°
C45C48C49C502.8°0.1°
C45C48C49H49177.2°180.0°
C48C45C52C512.8°0.3°
C52C45C48C490.3°0.0°
C52C45C48H48179.6°180.0°
C45C52C51C503.5°0.5°
C45C52C51H51176.5°180.0°
H45C45C48C49179.7°180.0°
H45C45C48H480.4°0.0°
H45C45C52C51177.2°179.7°
C48C49C50H49180.0°180.0°
C48C49C50C512.1°0.1°
C48C49C50H50177.9°180.0°
H48C48C49C50177.2°180.0°
H48C48C49H492.8°0.0°
C49C50C51H50180.0°179.9°
C49C50C51C521.0°0.4°
C49C50C51H51178.9°180.0°
H49C49C50C51177.9°179.8°
H49C49C50H502.1°0.0°
C50C51C52H51180.0°179.6°
H50C50C51C52179.0°179.7°
H50C50C51H511.0°0.2°
O58C59H591H592125.2°120.1°
O58C59H591H593125.2°119.9°
O58C59H592H593115.4°119.9°
H591C59H592H593115.5°120.0°

226262

PDB entries from 2024-10-16

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