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B4Y

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C31C30doub1.38Å1.39ÅAromatic
C31C32sing1.38Å1.39ÅAromatic
C30C29sing1.40Å1.40ÅAromatic
C15C14doub1.38Å1.39ÅAromatic
C15C16sing1.40Å1.41ÅAromatic
C32C27doub1.39Å1.41ÅAromatic
C29C33sing1.43Å1.42Å
C29C28doub1.40Å1.40ÅAromatic
C33N34trip1.14Å1.13Å
C14C13sing1.38Å1.39ÅAromatic
O20C18doub1.22Å1.22Å
C18N19sing1.35Å1.35Å
C18C16sing1.48Å1.48Å
N19C2sing1.39Å1.39Å
C16C17doub1.40Å1.40ÅAromatic
C27C28sing1.39Å1.40ÅAromatic
C27N25sing1.40Å1.41Å
O26C24doub1.22Å1.22Å
C2S3sing1.71Å1.70ÅAromatic
C2N1doub1.29Å1.30ÅAromatic
S3C4sing1.76Å1.76ÅAromatic
N1C5sing1.33Å1.32ÅAromatic
C13C12doub1.38Å1.40ÅAromatic
C4C5doub1.34Å1.35ÅAromatic
C4C9sing1.51Å1.52Å
C5C6sing1.52Å1.53Å
C8C9sing1.53Å1.55Å
C8N10sing1.47Å1.49Å
C8C7sing1.53Å1.55Å
C6C7sing1.53Å1.54Å
C17C12sing1.38Å1.39ÅAromatic
C37N10sing1.47Å1.48Å
N25C24sing1.35Å1.36Å
C24N23sing1.35Å1.36Å
N10C36sing1.47Å1.48Å
C12C11sing1.51Å1.52Å
N23C11sing1.47Å1.48Å
N23C22sing1.47Å1.48Å
C11C35sing1.54Å1.54Å
C22C21sing1.55Å1.55Å
C35C21sing1.55Å1.55Å
C6H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C13H10sing1.08Å1.08Å
C14H11sing1.08Å1.08Å
C15H12sing1.08Å1.08Å
C17H13sing1.08Å1.08Å
N19H14sing0.97Å1.00Å
C21H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C22H18sing1.09Å1.10Å
N25H19sing0.97Å1.00Å
C28H20sing1.08Å1.08Å
C30H21sing1.08Å1.08Å
C31H22sing1.08Å1.08Å
C32H23sing1.08Å1.08Å
C35H24sing1.09Å1.10Å
C35H25sing1.09Å1.10Å
C36H26sing1.09Å1.10Å
C36H27sing1.09Å1.10Å
C36H28sing1.09Å1.10Å
C37H29sing1.09Å1.10Å
C37H30sing1.09Å1.10Å
C37H31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C30C31C32120.1°120.2°
C31C30C29119.7°120.0°
C31C30H21120.1°120.0°
C30C31H22119.9°119.9°
C31C32C27120.9°120.2°
C32C31H22120.0°119.9°
C31C32H23119.6°119.8°
C30C29C33120.3°120.1°
C30C29C28120.2°119.8°
C29C30H21120.2°120.0°
C14C15C16120.0°119.8°
C15C14C13119.6°120.2°
C15C14H11120.2°119.9°
C14C15H12120.0°120.1°
C15C16C18121.3°120.1°
C15C16C17119.6°119.7°
C16C15H12120.0°120.1°
C32C27C28119.0°120.0°
C32C27N25123.6°120.0°
C27C32H23119.5°119.9°
C33C29C28119.5°120.1°
C29C33N34179.7°180.0°
C29C28C27120.1°119.8°
C29C28H20120.0°120.1°
C14C13C12121.3°120.3°
C14C13H10119.4°119.9°
C13C14H11120.2°119.9°
O20C18N19122.5°120.0°
O20C18C16119.3°120.0°
N19C18C16118.3°120.1°
C18N19C2126.9°120.0°
C18N19H14116.6°120.0°
C18C16C17119.1°120.2°
N19C2S3126.8°125.0°
N19C2N1123.4°125.0°
C2N19H14116.6°120.0°
C16C17C12120.5°119.8°
C16C17H13119.8°120.0°
C28C27N25117.3°120.0°
C27C28H20119.9°120.1°
C27N25C24128.6°120.0°
C27N25H19115.7°120.0°
O26C24N25121.3°120.0°
O26C24N23119.8°120.1°
S3C2N1109.7°110.1°
C2S3C490.9°90.3°
C2N1C5118.0°117.7°
S3C4C5108.2°108.7°
S3C4C9126.2°126.1°
N1C5C4113.1°113.2°
N1C5C6124.1°124.1°
C13C12C17119.1°120.1°
C13C12C11122.9°119.9°
C12C13H10119.4°119.8°
C5C4C9125.6°125.2°
C4C5C6122.8°122.7°
C4C9C8110.0°108.6°
C4C9H6109.3°109.6°
C4C9H7109.3°109.6°
C5C6C7109.2°108.7°
C5C6H1109.5°109.6°
C5C6H2109.5°109.6°
C9C8N10111.8°109.5°
C9C8C7111.1°109.1°
C9C8H5106.6°109.5°
C8C9H6109.3°109.7°
C8C9H7109.3°109.5°
N10C8C7112.9°109.6°
C8N10C37113.6°111.0°
C8N10C36117.4°111.1°
N10C8H5107.3°109.5°
C8C7C6110.9°109.4°
C8C7H3109.1°109.5°
C8C7H4109.1°109.5°
C7C8H5106.7°109.6°
C7C6H1109.5°109.6°
C7C6H2109.5°109.6°
C6C7H3109.1°109.4°
C6C7H4109.1°109.4°
C17C12C11118.0°119.9°
C12C17H13119.8°120.1°
C37N10C36111.4°111.0°
N10C37H29109.5°109.5°
N10C37H30109.4°109.5°
N10C37H31109.4°109.5°
N25C24N23118.8°120.0°
C24N25H19115.7°120.0°
C24N23C11126.6°125.6°
C24N23C22125.2°125.7°
N10C36H26109.5°109.5°
N10C36H27109.4°109.5°
N10C36H28109.5°109.5°
C12C11N23115.2°110.1°
C12C11C35111.3°109.9°
C12C11H9107.8°109.8°
C11N23C22108.1°108.7°
N23C11C35106.4°107.3°
N23C11H9108.3°109.9°
N23C22C21107.6°104.8°
N23C22H17109.9°110.3°
N23C22H18110.0°110.5°
C11C35C21102.5°103.0°
C35C11H9107.5°109.9°
C11C35H24111.2°110.7°
C11C35H25111.2°110.7°
C22C21C35102.4°101.6°
C22C21H15111.2°111.0°
C22C21H16111.2°111.0°
C21C22H17110.0°110.4°
C21C22H18109.9°110.4°
C35C21H15111.2°111.1°
C35C21H16111.2°111.0°
C21C35H24111.2°110.7°
C21C35H25111.2°110.7°
H1C6H2109.5°109.7°
H3C7H4109.5°109.5°
H6C9H7109.5°109.7°
H15C21H16109.5°110.9°
H17C22H18109.4°110.3°
H24C35H25109.5°110.8°
H26C36H27109.5°109.4°
H26C36H28109.5°109.4°
H27C36H28109.5°109.5°
H29C37H30109.5°109.5°
H29C37H31109.5°109.4°
H30C37H31109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C30C31C32H22180.0°179.8°
C31C30C29H21180.0°180.0°
C30C31C32C270.7°0.5°
C31C30C29C33179.2°180.0°
C31C30C29C280.1°0.0°
C30C31C32H23179.3°180.0°
C32C31C30C291.4°0.2°
C31C32C27H23180.0°179.5°
C31C32C27C281.4°0.6°
C31C32C27N25176.4°179.8°
C32C31C30H21178.6°179.8°
C30C29C33C28179.3°180.0°
C30C29C33N3419.6°156.3°
C30C29C28C271.9°0.1°
C30C29C28H20178.0°179.9°
C29C30C31H22178.6°180.0°
C14C15C16H12180.0°179.9°
C15C14C13H11180.0°180.0°
C14C15C16C18179.9°179.9°
C14C15C16C170.3°0.3°
C15C14C13C120.8°0.0°
C15C14C13H10179.1°180.0°
C16C15C14C130.2°0.0°
C15C16C18O2030.3°180.0°
C15C16C18N19150.5°0.1°
C15C16C18C17179.7°179.8°
C15C16C17C120.2°0.5°
C16C15C14H11179.8°180.0°
C15C16C17H13179.8°180.0°
C32C27C28C292.7°0.4°
C32C27C28N25175.4°179.6°
C32C27N25C2416.3°145.2°
C32C27N25H19163.8°34.8°
C32C27C28H20177.3°179.8°
C27C32C31H22179.3°179.6°
C33C29C28C27178.7°179.9°
C33C29C28H201.3°0.0°
C33C29C30H210.8°0.1°
C28C29C33N34159.8°23.7°
C29C28C27H20180.0°179.9°
C29C28C27N25178.0°180.0°
C28C29C30H21179.9°180.0°
C14C13C12H10180.0°180.0°
C14C13C12C170.9°0.3°
C14C13C12C11179.3°180.0°
C13C14C15H12179.7°179.9°
O20C18N19C16179.2°179.9°
O20C18N19C217.8°0.1°
O20C18C16C17150.1°0.2°
O20C18N19H14162.2°179.9°
C18N19C2H14180.0°179.9°
N19C18C16C1729.1°179.7°
C18N19C2S33.1°180.0°
C18N19C2N1178.6°0.1°
C16C18N19C2161.4°180.0°
C18C16C17C12179.8°179.7°
C18C16C15H120.1°0.0°
C18C16C17H130.1°0.2°
C16C18N19H1418.7°0.1°
N19C2S3N1178.5°179.9°
N19C2S3C4178.5°180.0°
N19C2N1C5179.5°180.0°
C16C17C12C130.4°0.5°
C16C17C12H13180.0°179.5°
C16C17C12C11178.9°179.8°
C17C16C15H12179.7°179.8°
C28C27N25C24168.6°35.2°
C28C27N25H1911.4°144.8°
C28C27C32H23178.6°179.9°
C27N25C24O262.7°4.7°
C27N25C24H19180.0°180.0°
C27N25C24N23179.7°175.4°
N25C27C28H202.0°0.2°
N25C27C32H233.5°0.3°
O26C24N25N23177.7°180.0°
O26C24N23C113.0°0.1°
O26C24N23C22178.8°179.9°
O26C24N25H19177.3°175.4°
S3C2N1C51.0°0.1°
C2S3C4C50.9°0.0°
C2S3C4C9179.5°180.0°
S3C2N19H14176.9°0.1°
N1C2S3C40.0°0.0°
C2N1C5C41.7°0.1°
C2N1C5C6179.9°180.0°
N1C2N19H141.4°180.0°
S3C4C5N11.6°0.0°
S3C4C5C9178.6°180.0°
S3C4C5C6179.7°179.9°
S3C4C9C8169.4°164.0°
S3C4C9H649.3°44.1°
S3C4C9H770.6°76.3°
N1C5C4C6178.2°179.9°
N1C5C4C9179.8°180.0°
N1C5C6C7161.2°162.4°
N1C5C6H141.2°42.6°
N1C5C6H278.9°77.8°
C13C12C17C11178.5°179.7°
C13C12C11N2322.5°37.9°
C13C12C11C3598.8°80.0°
C13C12C11H9143.5°159.0°
C12C13C14H11179.2°180.0°
C13C12C17H13179.6°180.0°
C5C4C9C812.3°16.0°
C4C5C6C720.9°17.5°
C4C5C6H1140.8°137.3°
C4C5C6H299.1°102.3°
C5C4C9H6132.4°135.8°
C5C4C9H7107.8°103.7°
C9C4C5C61.7°0.1°
C4C9C8H6120.1°119.8°
C4C9C8H7120.1°119.7°
C4C9C8N10169.1°169.1°
C4C9C8C742.1°49.2°
C4C9C8H573.8°70.7°
C4C9H6H7119.7°120.4°
C5C6C7C850.9°51.2°
C5C6C7H1120.0°119.8°
C5C6C7H2119.9°119.8°
C5C6H1H2120.1°120.3°
C5C6C7H3171.1°68.8°
C5C6C7H469.4°171.2°
C9C8N10C7126.1°119.6°
C9C8N10H5116.6°120.1°
C9C8C7H5115.9°119.9°
C9C8C7C664.4°70.3°
C9C8N10C37173.6°59.0°
C9C8N10C3653.9°65.0°
C9C8C7H3175.4°49.6°
C9C8C7H455.8°169.7°
C8C9H6H7119.8°120.4°
N10C8C7H5117.7°120.2°
N10C8C7C6169.2°169.8°
C8N10C37C36135.4°124.0°
N10C8C7H349.0°70.3°
N10C8C7H470.6°49.8°
N10C8C9H670.8°71.0°
N10C8C9H749.1°49.5°
C8N10C36H26180.0°60.0°
C8N10C36H2760.0°180.0°
C8N10C36H2860.0°59.9°
C8N10C37H29180.0°59.9°
C8N10C37H3060.0°180.0°
C8N10C37H3160.0°60.0°
C8C7C6H3120.2°120.0°
C8C7C6H4120.2°120.0°
C7C8N10C3760.4°60.6°
C7C8N10C3672.2°175.4°
C8C7C6H1170.8°171.0°
C8C7C6H269.1°68.6°
C8C7H3H4119.4°120.1°
C7C8C9H6162.2°169.0°
C7C8C9H778.0°70.5°
C7C6H1H2120.1°120.4°
C6C7H3H4119.3°120.0°
C6C7C8H551.5°49.6°
C17C12C11N23159.1°142.4°
C17C12C11C3579.6°99.7°
C17C12C11H938.1°21.3°
C17C12C13H10179.1°179.8°
C37N10C8H556.9°179.2°
C37N10C36H2646.5°64.0°
C37N10C36H27166.5°56.0°
C37N10C36H2873.5°176.1°
N10C37H29H30120.0°120.1°
N10C37H29H31120.0°119.9°
N10C37H30H31120.0°120.0°
N25C24N23C11179.3°180.0°
N25C24N23C223.5°0.1°
C24N23C11C1278.1°61.5°
C24N23C11C22176.4°179.9°
C24N23C11C35158.0°179.0°
C24N23C22C21179.2°155.9°
C24N23C11H942.6°59.6°
C24N23C22H1759.5°37.1°
C24N23C22H1861.1°85.2°
N23C24N25H190.3°4.6°
C36N10C8H5170.5°55.2°
N10C36H26H27120.0°120.0°
N10C36H26H28120.0°120.0°
N10C36H27H28120.0°120.1°
C36N10C37H2944.7°176.1°
C36N10C37H3075.4°56.0°
C36N10C37H31164.6°64.0°
C12C11N23C35123.9°119.5°
C12C11N23H9120.7°121.1°
C12C11N23C22105.5°118.4°
C12C11C35H9117.8°121.0°
C12C11C35C2192.8°141.8°
C11C12C13H100.7°0.1°
C11C12C17H131.1°0.3°
C12C11C35H24148.4°99.9°
C12C11C35H2526.1°23.4°
N23C11C35H9115.9°119.4°
C11N23C22C214.3°24.2°
N23C11C35C2133.5°22.1°
C11N23C22H17124.0°143.0°
C11N23C22H18115.4°94.7°
N23C11C35H2485.3°140.5°
N23C11C35H25152.4°96.2°
C22N23C11C3518.4°1.1°
N23C22C21H17119.7°118.8°
N23C22C21H18119.7°119.0°
N23C22C21C3524.8°37.0°
C22N23C11H9133.8°120.5°
N23C22C21H1594.0°155.2°
N23C22C21H16143.7°81.1°
N23C22H17H18120.9°122.4°
C11C35C21C2234.7°35.5°
C11C35C21H24118.8°118.4°
C11C35C21H25118.9°118.4°
C11C35C21H1584.1°153.6°
C11C35C21H16153.6°82.6°
C11C35H24H25123.3°123.3°
C22C21C35H15118.9°118.1°
C22C21C35H16118.9°118.0°
C22C21H15H16123.3°123.8°
C21C22H17H18120.9°122.3°
C22C21C35H2484.1°153.8°
C22C21C35H25153.6°82.9°
C21C35C11H9149.4°97.2°
C35C21H15H16123.3°124.0°
C35C21C22H17144.5°155.8°
C35C21C22H1894.9°82.0°
C21C35H24H25123.2°123.2°
H1C6C7H369.0°51.0°
H1C6C7H450.6°69.0°
H2C6C7H351.1°171.5°
H2C6C7H4170.7°51.4°
H3C7C8H568.7°169.5°
H4C7C8H5171.7°70.4°
H5C8C9H646.3°49.1°
H5C8C9H7166.1°169.6°
H9C11C35H2430.5°21.1°
H9C11C35H2591.7°144.4°
H10C13C14H110.9°0.0°
H11C14C15H120.3°0.1°
H15C21C22H1725.7°86.1°
H15C21C22H18146.2°36.2°
H15C21C35H24157.0°88.1°
H15C21C35H2534.8°35.2°
H16C21C22H1796.6°37.7°
H16C21C22H1824.0°159.9°
H16C21C35H2434.8°35.8°
H16C21C35H2587.5°159.1°
H21C30C31H221.4°0.1°
H22C31C32H230.7°0.2°
H26C36H27H28120.0°119.9°
H29C37H30H31120.0°119.9°

226707

PDB entries from 2024-10-30

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