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980

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.49Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C2C3doub1.32Å1.43ÅAromatic
C2C6sing1.40Å1.48ÅAromatic
C24C3sing1.51Å1.52Å
C3S4sing1.76Å1.72ÅAromatic
C5S4sing1.76Å1.73ÅAromatic
C6C5doub1.40Å1.40ÅAromatic
C5C10sing1.41Å1.42ÅAromatic
N7C6sing1.35Å1.38ÅAromatic
N7C8doub1.32Å1.35ÅAromatic
C17C8sing1.48Å1.53Å
C8N9sing1.33Å1.35ÅAromatic
N9C10doub1.33Å1.36ÅAromatic
C10N11sing1.39Å1.44Å
C12N11sing1.47Å1.39Å
N11C16sing1.47Å1.40Å
C12C13sing1.53Å1.49Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C13O14sing1.43Å1.41Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
O14C15sing1.43Å1.39Å
C16C15sing1.53Å1.49Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C22C17doub1.40Å1.40ÅAromatic
C17C18sing1.40Å1.40ÅAromatic
N19C18doub1.32Å1.35ÅAromatic
C18H18sing1.08Å1.08Å
C20N19sing1.33Å1.34ÅAromatic
N21C20doub1.33Å1.34ÅAromatic
N23C20sing1.38Å1.43Å
N21C22sing1.32Å1.35ÅAromatic
C22H22sing1.08Å1.08Å
N23HN23sing0.97Å1.00Å
N23HN2Asing0.97Å1.00Å
N25C24sing1.47Å1.28Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C30N25sing1.47Å1.36Å
C26N25sing1.47Å1.36Å
C27C26sing1.53Å1.51Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
N28C27sing1.47Å1.34Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C31N28sing1.35Å1.45Å
N28C29sing1.47Å1.33Å
C29C30sing1.53Å1.51Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
O32C31doub1.21Å1.22Å
C33C31sing1.51Å1.51Å
O36C33sing1.43Å1.38Å
C35C33sing1.53Å1.50Å
C33H33sing1.09Å1.10Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
C35H35Bsing1.09Å1.10Å
O36HO36sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H1109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.5°109.5°
C1C2C3124.5°122.1°
C1C2C6121.8°122.1°
H1C1H1A109.4°109.5°
H1C1H1B109.5°109.4°
H1AC1H1B109.5°109.5°
C3C2C6113.7°115.8°
C2C3C24128.6°124.7°
C2C3S4106.4°110.7°
C2C6C5114.0°112.5°
C2C6N7126.5°129.7°
C24C3S4125.0°124.6°
C3C24N25114.4°109.5°
C3C24H24107.9°109.5°
C3C24H24A107.9°109.4°
C3S4C599.1°91.5°
S4C5C6106.8°109.5°
S4C5C10135.7°131.6°
C6C5C10117.5°118.9°
C5C6N7119.5°117.9°
C5C10N9119.6°119.0°
C5C10N11121.9°120.5°
C6N7C8121.9°121.1°
N7C8C17121.5°118.8°
N7C8N9119.1°122.3°
C17C8N9119.3°118.8°
C8C17C22122.0°120.9°
C8C17C18119.6°120.9°
C8N9C10122.4°120.7°
N9C10N11118.4°120.5°
C10N11C12116.1°111.0°
C10N11C16122.3°111.0°
C12N11C16112.6°110.8°
N11C12C13108.3°109.2°
N11C12H12109.9°109.5°
N11C12H12A109.9°109.5°
N11C16C15111.6°109.2°
N11C16H16108.7°109.5°
N11C16H16A108.8°109.5°
C13C12H12109.9°109.5°
C13C12H12A109.9°109.5°
C12C13O14114.3°109.2°
C12C13H13107.9°109.5°
C12C13H13A107.9°109.5°
H12C12H12A109.0°109.6°
O14C13H13107.9°109.6°
O14C13H13A107.9°109.5°
C13O14C15111.8°113.7°
H13C13H13A111.1°109.6°
O14C15C16111.5°109.3°
O14C15H15108.8°109.5°
O14C15H15A108.8°109.5°
C16C15H15108.8°109.5°
C16C15H15A108.8°109.6°
C15C16H16108.8°109.4°
C15C16H16A108.8°109.5°
H15C15H15A110.1°109.5°
H16C16H16A110.2°109.6°
C22C17C18118.4°118.3°
C17C22N21118.4°119.1°
C17C22H22120.8°120.5°
C17C18N19120.1°119.0°
C17C18H18119.9°120.4°
N19C18H18120.0°120.5°
C18N19C20120.3°120.9°
N19C20N21120.8°121.8°
N19C20N23119.7°119.1°
N21C20N23119.5°119.1°
C20N21C22122.0°120.9°
C20N23HN23109.5°120.0°
C20N23HN2A109.5°119.9°
N21C22H22120.8°120.5°
HN23N23HN2A109.4°120.0°
N25C24H24107.9°109.5°
N25C24H24A107.9°109.4°
C24N25C30113.1°111.0°
C24N25C26108.9°111.1°
H24C24H24A111.0°109.5°
C30N25C26107.6°111.2°
N25C30C29109.5°109.3°
N25C30H30109.5°109.5°
N25C30H30A109.5°109.4°
N25C26C27111.3°109.4°
N25C26H26108.8°109.5°
N25C26H26A108.9°109.4°
C27C26H26108.9°109.5°
C27C26H26A108.9°109.5°
C26C27N28115.5°108.5°
C26C27H27107.5°109.6°
C26C27H27A107.5°109.6°
H26C26H26A110.1°109.4°
N28C27H27107.5°109.6°
N28C27H27A107.5°109.8°
C27N28C31122.2°120.9°
C27N28C29117.0°118.2°
H27C27H27A111.4°109.7°
C31N28C29120.8°120.9°
N28C31O32118.4°120.0°
N28C31C33120.1°120.0°
N28C29C30114.7°108.6°
N28C29H29107.8°109.6°
N28C29H29A107.7°109.6°
C30C29H29107.8°109.6°
C30C29H29A107.8°109.6°
C29C30H30109.5°109.6°
C29C30H30A109.5°109.5°
H29C29H29A111.1°109.8°
H30C30H30A109.4°109.5°
O32C31C33121.5°120.0°
C31C33O36111.0°109.5°
C31C33C35113.3°109.5°
C31C33H33105.7°109.4°
O36C33C35109.5°109.4°
O36C33H33109.8°109.5°
C33O36HO36109.5°114.0°
C35C33H33107.3°109.5°
C33C35H35109.5°109.5°
C33C35H35A109.5°109.4°
C33C35H35B109.4°109.5°
H35C35H35A109.5°109.5°
H35C35H35B109.5°109.5°
H35AC35H35B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H1H1A120.0°120.0°
C2C1H1H1B120.0°120.0°
C2C1H1AH1B120.0°120.0°
C1C2C3C6179.1°179.7°
C1C2C3C240.1°0.0°
C1C2C3S4179.2°180.0°
C1C2C6C5179.3°179.8°
C1C2C6N70.6°0.0°
H1C1H1AH1B120.0°120.0°
H1C1C2C389.5°90.0°
H1C1C2C689.5°90.3°
H1AC1C2C3150.5°150.0°
H1AC1C2C630.4°29.7°
H1BC1C2C330.5°30.0°
H1BC1C2C6150.5°149.7°
C2C3C24S4179.0°180.0°
C2C3S4C50.0°0.0°
C3C2C6C50.2°0.5°
C3C2C6N7179.7°179.7°
C2C3C24N2580.8°89.9°
C2C3C24H24159.2°150.0°
C2C3C24H24A39.2°30.0°
C6C2C3C24179.0°179.7°
C6C2C3S40.1°0.3°
C2C6C5S40.1°0.5°
C2C6C5N7179.9°179.8°
C2C6C5C10179.4°179.7°
C2C6N7C8178.7°180.0°
C24C3S4C5179.1°180.0°
C3C24N25H24120.0°120.1°
C3C24N25H24A120.0°119.9°
C3C24H24H24A118.0°120.0°
C3C24N25C3050.2°65.7°
C3C24N25C26169.9°170.0°
C3S4C5C60.1°0.3°
C3S4C5C10179.4°180.0°
S4C3C24N25100.2°90.0°
S4C3C24H2419.8°30.0°
S4C3C24H24A139.8°150.0°
S4C5C6C10179.5°179.8°
S4C5C6N7179.7°179.7°
S4C5C10N9179.7°179.1°
S4C5C10N111.0°0.0°
C5C6N7C81.4°0.2°
C6C5C10N90.4°0.6°
C6C5C10N11179.6°179.7°
C10C5C6N70.7°0.0°
C5C10N9C80.7°0.8°
C5C10N9N11179.3°179.1°
C5C10N11C1254.7°56.3°
C5C10N11C16160.7°180.0°
C6N7C8C17179.7°180.0°
C6N7C8N91.8°0.0°
N7C8C17N9178.0°180.0°
N7C8N9C101.4°0.6°
N7C8C17C2235.0°179.7°
N7C8C17C18144.6°0.0°
C17C8N9C10179.4°179.4°
C8C17C22C18179.7°179.7°
C8C17C18N19179.4°180.0°
C8C17C18H180.6°0.0°
C8C17C22N21179.8°179.7°
C8C17C22H220.2°0.3°
C8N9C10N11180.0°179.9°
N9C8C17C22147.0°0.3°
N9C8C17C1833.3°180.0°
N9C10N11C12126.1°122.8°
N9C10N11C1618.6°0.9°
C10N11C12C16148.0°123.8°
C10N11C12C13155.9°177.6°
C10N11C12H1235.9°57.7°
C10N11C12H12A84.1°62.5°
C10N11C16C15156.9°177.6°
C10N11C16H1683.1°62.5°
C10N11C16H16A36.9°57.7°
N11C12C13H12120.0°119.9°
N11C12C13H12A120.0°119.9°
N11C12H12H12A120.5°120.1°
N11C12C13O1454.2°56.9°
N11C12C13H1365.8°63.1°
N11C12C13H13A174.2°176.8°
C12N11C16C1557.4°58.6°
C12N11C16H1662.6°61.2°
C12N11C16H16A177.4°178.5°
C16N11C12C1356.1°58.7°
C16N11C12H12176.1°178.5°
C16N11C12H12A63.9°61.3°
N11C16C15O1453.3°56.8°
N11C16C15H16120.0°119.9°
N11C16C15H16A120.0°119.9°
N11C16C15H1566.7°63.1°
N11C16C15H15A173.3°176.8°
N11C16H16H16A119.1°120.2°
C13C12H12H12A120.5°120.1°
C12C13O14H13120.0°120.0°
C12C13O14H13A120.0°119.9°
C12C13H13H13A118.0°120.1°
C12C13O14C1552.7°58.7°
H12C12C13O14174.2°176.8°
H12C12C13H1354.2°56.8°
H12C12C13H13A65.8°63.3°
H12AC12C13O1465.8°63.1°
H12AC12C13H13174.2°177.0°
H12AC12C13H13A54.1°56.8°
O14C13H13H13A118.0°120.1°
C13O14C15C1650.6°58.7°
C13O14C15H1569.4°61.2°
C13O14C15H15A170.6°178.7°
H13C13O14C1567.3°61.2°
H13AC13O14C15172.7°178.6°
O14C15C16H15120.0°119.9°
O14C15C16H15A120.0°120.0°
O14C15H15H15A119.2°120.1°
O14C15C16H1666.7°63.1°
O14C15C16H16A173.3°176.8°
C16C15H15H15A119.2°120.1°
C15C16H16H16A119.1°120.1°
H15C15C16H16173.3°177.0°
H15C15C16H16A53.3°56.9°
H15AC15C16H1653.3°56.9°
H15AC15C16H16A66.7°63.2°
C22C17C18N190.2°0.3°
C22C17C18H18179.8°179.7°
C17C22N21C200.8°0.6°
C17C22N21H22180.0°179.4°
C17C18N19H18180.0°180.0°
C17C18N19C200.1°0.0°
C18C17C22N210.2°0.6°
C18C17C22H22179.8°180.0°
C18N19C20N210.5°0.0°
C18N19C20N23179.9°180.0°
H18C18N19C20179.9°180.0°
N19C20N21N23179.6°180.0°
N19C20N21C221.0°0.3°
N19C20N23HN230.0°0.1°
N19C20N23HN2A120.0°180.0°
C20N21C22H22179.2°180.0°
N21C20N23HN23179.6°179.9°
N21C20N23HN2A59.6°0.0°
N23C20N21C22179.4°179.7°
C20N23HN23HN2A120.0°179.9°
N25C24H24H24A118.0°120.0°
C24N25C30C26120.4°124.2°
C24N25C26C27176.1°172.8°
C24N25C26H2663.9°67.2°
C24N25C26H26A56.1°52.8°
C24N25C30C29175.6°172.8°
C24N25C30H3055.6°52.7°
C24N25C30H30A64.3°67.3°
H24C24N25C3069.7°54.3°
H24C24N25C2649.9°69.9°
H24AC24N25C30170.2°174.3°
H24AC24N25C2670.1°50.1°
C30N25C26C2761.0°63.1°
C30N25C26H2659.0°56.9°
C30N25C26H26A179.0°176.9°
N25C30C29N2852.5°53.8°
N25C30C29H30120.0°120.0°
N25C30C29H30A120.0°119.9°
N25C30C29H29172.6°173.6°
N25C30C29H29A67.4°65.9°
N25C30H30H30A120.0°120.0°
N25C26C27H26120.0°120.0°
N25C26C27H26A120.0°119.9°
N25C26H26H26A119.2°120.0°
N25C26C27N2845.4°53.9°
N25C26C27H27165.4°173.6°
N25C26C27H27A74.6°66.0°
C26N25C30C2964.0°63.1°
C26N25C30H30176.0°176.9°
C26N25C30H30A56.0°56.9°
C27C26H26H26A119.3°120.1°
C26C27N28H27120.0°119.7°
C26C27N28H27A120.0°119.8°
C26C27H27H27A117.5°120.4°
C26C27N28C31148.7°128.7°
C26C27N28C2933.1°51.2°
H26C26C27N2874.6°66.2°
H26C26C27H2745.4°53.5°
H26C26C27H27A165.4°174.0°
H26AC26C27N28165.4°173.8°
H26AC26C27H2774.6°66.5°
H26AC26C27H27A45.4°53.9°
N28C27H27H27A117.5°120.6°
C27N28C31C29178.1°179.9°
C27N28C29C3036.6°51.2°
C27N28C29H29156.6°170.9°
C27N28C29H29A83.4°68.6°
C27N28C31O32179.4°0.1°
C27N28C31C332.4°180.0°
H27C27N28C3128.7°9.1°
H27C27N28C29153.1°170.9°
H27AC27N28C3191.3°111.4°
H27AC27N28C2986.9°68.6°
C31N28C29C30145.2°128.7°
C31N28C29H2925.2°9.0°
C31N28C29H29A94.8°111.5°
N28C31O32C33178.1°180.0°
N28C31C33O3675.4°175.0°
N28C31C33C35160.9°65.0°
N28C31C33H3343.7°55.0°
N28C29C30H29120.0°119.7°
N28C29C30H29A120.0°119.7°
N28C29H29H29A117.8°120.4°
N28C29C30H30172.6°173.8°
N28C29C30H30A67.5°66.1°
C29N28C31O321.3°180.0°
C29N28C31C33179.5°0.1°
C30C29H29H29A117.9°120.5°
C29C30H30H30A120.0°120.1°
H29C29C30H3067.4°66.5°
H29C29C30H30A52.6°53.6°
H29AC29C30H3052.6°54.1°
H29AC29C30H30A172.6°174.2°
O32C31C33O36106.5°5.0°
O32C31C33C3517.2°115.0°
O32C31C33H33134.4°125.0°
C31C33O36C35125.8°120.0°
C31C33O36H33116.6°120.0°
C31C33C35H33116.3°120.0°
C31C33C35H35180.0°60.0°
C31C33C35H35A60.0°60.0°
C31C33C35H35B60.0°180.0°
C31C33O36HO36180.0°180.0°
O36C33C35H33119.2°120.0°
O36C33C35H3555.5°60.0°
O36C33C35H35A64.5°180.0°
O36C33C35H35B175.5°60.1°
C33C35H35H35A120.0°119.9°
C33C35H35H35B120.0°120.1°
C33C35H35AH35B120.0°120.0°
C35C33O36HO3654.2°60.1°
H33C33C35H3563.6°180.0°
H33C33C35H35A176.3°60.0°
H33C33C35H35B56.3°60.0°
H33C33O36HO3663.5°60.0°
H35C35H35AH35B120.0°120.0°

218853

PDB entries from 2024-04-24

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