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TW6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C14doub1.38Å1.52ÅAromatic
C15C16sing1.38Å1.32ÅAromatic
C14C13sing1.38Å1.33ÅAromatic
C13C12doub1.38Å1.51ÅAromatic
C16C11doub1.40Å1.53ÅAromatic
C12C11sing1.40Å1.32ÅAromatic
C11C10sing1.48Å1.52Å
O2C10doub1.22Å1.18Å
C10N1sing1.35Å1.46Å
C7C8sing1.53Å1.53Å
C7C5sing1.51Å1.54Å
N1C8sing1.47Å1.45Å
N1C9sing1.47Å1.45Å
C18C8sing1.53Å1.55Å
C18C17sing1.53Å1.49Å
C8C17sing1.53Å1.55Å
C5C4doub1.39Å1.51ÅAromatic
C5C6sing1.38Å1.35ÅAromatic
C4C3sing1.38Å1.34ÅAromatic
C9C6sing1.51Å1.53Å
C9C19sing1.51Å1.54Å
C6C1doub1.39Å1.50ÅAromatic
C3O1sing1.36Å1.39Å
C3C2doub1.39Å1.50ÅAromatic
C1C2sing1.38Å1.32ÅAromatic
C19C20doub1.38Å1.35ÅAromatic
C19C24sing1.38Å1.53ÅAromatic
C20C21sing1.38Å1.53ÅAromatic
C24C23doub1.38Å1.35ÅAromatic
C21C22doub1.39Å1.34ÅAromatic
C23C22sing1.39Å1.53ÅAromatic
C22O3sing1.36Å1.44Å
O3C25sing1.43Å1.41Å
C25C26sing1.53Å1.54Å
C26N2sing1.47Å1.46Å
C27N2sing1.47Å1.47Å
C4H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C13H4sing1.08Å1.08Å
C15H5sing1.08Å1.08Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C20H8sing1.08Å1.08Å
C21H9sing1.08Å1.08Å
C24H10sing1.08Å1.08Å
C26H11sing1.09Å1.10Å
C26H12sing1.09Å1.10Å
C1H13sing1.08Å1.08Å
C12H14sing1.08Å1.08Å
C14H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C18H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C2H19sing1.08Å1.08Å
C23H20sing1.08Å1.08Å
C25H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C27H23sing1.09Å1.10Å
C27H24sing1.09Å1.10Å
C27H25sing1.09Å1.10Å
C9H26sing1.09Å1.10Å
N2H27sing1.01Å1.00Å
O1H29sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C15C16114.7°120.1°
C15C14C13123.0°120.3°
C14C15H5122.6°119.9°
C15C14H15118.5°119.8°
C15C16C11121.6°119.9°
C16C15H5122.7°119.9°
C15C16H16119.2°120.0°
C14C13C12122.3°120.2°
C14C13H4118.9°120.0°
C13C14H15118.5°119.8°
C13C12C11114.2°119.8°
C12C13H4118.8°119.9°
C13C12H14123.0°120.1°
C16C11C12124.2°119.7°
C16C11C10109.6°120.2°
C11C16H16119.2°120.1°
C12C11C10125.9°120.1°
C11C12H14122.9°120.1°
C11C10O2116.2°120.0°
C11C10N1124.6°120.0°
O2C10N1118.7°120.0°
C10N1C8123.0°121.7°
C10N1C9115.4°121.6°
C8C7C5106.4°110.2°
C7C8N1112.5°113.6°
C7C8C18105.5°118.6°
C7C8C17117.5°118.6°
C8C7H2110.3°109.4°
C8C7H3110.3°109.3°
C7C5C4114.8°117.0°
C7C5C6122.7°123.2°
C5C7H2110.2°109.4°
C5C7H3110.2°109.4°
C8N1C9121.6°116.7°
N1C8C18131.5°117.9°
N1C8C17122.0°118.0°
N1C9C6105.1°110.5°
N1C9C19112.8°109.3°
N1C9H26110.3°109.3°
C8C18C1761.1°59.9°
C18C8C1757.5°60.2°
C8C18H17119.8°117.5°
C8C18H18119.8°117.6°
C18C17C861.5°59.9°
C18C17H6119.7°117.5°
C18C17H7119.7°117.6°
C17C18H17119.8°117.5°
C17C18H18119.8°117.6°
C8C17H6119.7°117.5°
C8C17H7119.7°117.5°
C4C5C6122.5°119.7°
C5C4C3117.5°120.7°
C5C4H1121.3°119.7°
C5C6C9127.1°123.4°
C5C6C1118.6°119.6°
C4C3O1121.5°120.2°
C4C3C2120.2°119.5°
C3C4H1121.3°119.7°
C6C9C19110.2°109.3°
C9C6C1114.2°116.9°
C6C9H26109.3°109.3°
C9C19C20118.7°119.9°
C9C19C24118.3°120.0°
C19C9H26109.1°109.1°
C6C1C2118.6°120.8°
C6C1H13120.7°119.6°
O1C3C2118.1°120.2°
C3O1H29109.5°114.0°
C3C2C1122.6°119.7°
C3C2H19118.7°120.1°
C2C1H13120.7°119.6°
C1C2H19118.7°120.1°
C20C19C24123.0°120.1°
C19C20C21120.4°120.1°
C19C20H8119.8°120.0°
C19C24C23115.6°120.1°
C19C24H10122.2°119.9°
C20C21C22117.0°120.0°
C21C20H8119.8°120.0°
C20C21H9121.5°120.0°
C24C23C22122.0°119.9°
C23C24H10122.2°120.0°
C24C23H20119.0°120.1°
C21C22C23121.9°119.9°
C21C22O3119.4°120.1°
C22C21H9121.5°120.0°
C23C22O3118.7°120.0°
C22C23H20119.0°120.0°
C22O3C25111.1°117.0°
O3C25C26110.4°109.5°
O3C25H21109.2°109.5°
O3C25H22109.3°109.5°
C25C26N2108.7°109.5°
C25C26H11109.7°109.5°
C25C26H12109.7°109.5°
C26C25H21109.2°109.4°
C26C25H22109.2°109.4°
C26N2C27113.4°111.0°
N2C26H11109.7°109.5°
N2C26H12109.7°109.4°
C26N2H27108.5°111.0°
N2C27H23109.5°109.4°
N2C27H24109.5°109.5°
N2C27H25109.5°109.5°
C27N2H27108.5°111.0°
H2C7H3109.5°109.2°
H6C17H7109.5°115.5°
H11C26H12109.5°109.5°
H17C18H18109.5°115.6°
H21C25H22109.5°109.5°
H23C27H24109.4°109.5°
H23C27H25109.5°109.5°
H24C27H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C15C16H5180.0°180.0°
C15C14C13H15180.0°179.9°
C15C14C13C121.0°0.0°
C14C15C16C110.4°0.3°
C15C14C13H4179.0°179.8°
C14C15C16H16179.6°180.0°
C16C15C14C131.8°0.0°
C15C16C11H16180.0°179.7°
C15C16C11C122.0°0.5°
C15C16C11C10175.7°180.0°
C16C15C14H15178.2°179.9°
C14C13C12H4180.0°179.8°
C14C13C12C111.3°0.2°
C13C14C15H5178.2°180.0°
C14C13C12H14178.7°179.8°
C13C12C11C162.8°0.5°
C13C12C11H14180.0°179.9°
C13C12C11C10175.5°180.0°
C12C13C14H15179.0°180.0°
C16C11C12C10172.7°179.5°
C16C11C10O2109.1°123.0°
C16C11C10N162.3°56.9°
C11C16C15H5179.6°179.8°
C16C11C12H14177.2°179.6°
C12C11C10O264.4°56.5°
C12C11C10N1124.1°123.6°
C11C12C13H4178.7°179.9°
C12C11C16H16178.0°179.7°
C11C10O2N1172.0°179.9°
C11C10N1C810.5°175.4°
C11C10N1C9171.9°4.3°
C10C11C12H144.5°0.1°
C10C11C16H164.3°0.2°
O2C10N1C8178.2°4.7°
O2C10N1C90.7°175.6°
C10N1C8C7121.0°122.4°
C10N1C8C9177.4°179.7°
C10N1C8C1818.0°22.9°
C10N1C8C1790.9°92.1°
C10N1C9C6143.4°138.3°
C10N1C9C1996.6°101.4°
C10N1C9H2625.8°18.0°
C8C7C5H2119.5°120.3°
C8C7C5H3119.5°120.2°
C7C8N1C18139.0°145.3°
C7C8N1C17148.1°145.5°
C7C8N1C961.6°57.3°
C7C8C18C17113.0°108.4°
C8C7C5C4160.3°165.0°
C8C7C5C621.9°16.1°
C8C7H2H3121.4°119.6°
C7C8C17H618.4°144.2°
C7C8C17H7158.7°0.8°
C7C8C18H173.3°1.0°
C7C8C18H18137.2°144.1°
C5C7C8N145.5°40.8°
C5C7C8C18165.1°174.1°
C5C7C8C17104.1°104.5°
C7C5C4C6177.8°178.9°
C7C5C4C3177.3°178.1°
C7C5C6C95.3°3.6°
C7C5C6C1178.4°177.6°
C7C5C4H12.7°1.9°
C5C7H2H3121.4°119.7°
N1C8C18C17105.9°108.0°
C8N1C9C639.0°41.3°
C8N1C9C1981.0°79.0°
N1C8C7H274.0°161.1°
N1C8C7H3165.0°79.4°
N1C8C17H6128.2°0.3°
N1C8C17H712.1°144.6°
N1C8C18H17144.3°144.5°
N1C8C18H183.8°0.5°
C8N1C9H26156.6°161.7°
C9N1C8C18159.4°157.4°
C9N1C8C1786.5°88.2°
N1C9C6C510.6°14.8°
N1C9C6C19121.8°120.3°
N1C9C6H26118.3°120.3°
N1C9C19H26123.0°119.5°
N1C9C6C1173.0°166.4°
N1C9C19C20101.2°61.0°
N1C9C19C2482.2°119.0°
C8C18C17H17109.7°107.4°
C8C18C17H18109.7°107.5°
C18C8C7H275.3°53.9°
C18C8C7H345.6°65.7°
C8C18C17H6109.8°107.4°
C8C18C17H7109.9°107.4°
C8C18H17H18144.2°145.7°
C18C17H6H7143.9°145.8°
C17C18H17H18144.2°145.8°
C17C8C7H2136.3°15.8°
C17C8C7H315.4°135.3°
C8C17H6H7143.9°145.6°
C5C4C3H1180.0°180.0°
C4C5C6C9177.1°177.6°
C4C5C6C10.8°1.3°
C5C4C3O1177.5°179.9°
C5C4C3C21.3°0.0°
C4C5C7H280.1°44.8°
C4C5C7H340.8°74.8°
C6C5C4C30.5°0.8°
C5C6C9C1176.4°178.9°
C5C6C9C19111.2°105.5°
C5C6C1C21.3°0.9°
C6C5C4H1179.6°179.2°
C6C5C7H297.7°136.4°
C6C5C7H3141.4°104.0°
C5C6C1H13178.7°179.1°
C5C6C9H26128.9°135.1°
C4C3O1C2176.2°180.0°
C4C3C2C10.9°0.4°
C4C3C2H19179.1°179.5°
C4C3O1H29180.0°90.0°
C6C9C19H26120.0°119.5°
C9C6C1C2178.0°178.0°
C6C9C19C20141.8°60.0°
C6C9C19C2434.8°120.0°
C9C6C1H132.0°2.0°
C19C9C6C165.3°73.3°
C9C19C20C24176.4°180.0°
C9C19C20C21178.8°180.0°
C9C19C24C23178.6°179.5°
C9C19C20H81.2°0.3°
C9C19C24H101.4°0.3°
C6C1C2C30.4°0.1°
C6C1C2H13180.0°180.0°
C6C1C2H19179.6°180.0°
C1C6C9H2654.6°46.1°
O1C3C2C1177.2°179.6°
O1C3C4H12.5°0.0°
O1C3C2H192.8°0.5°
C3C2C1H19180.0°179.9°
C2C3C4H1178.7°180.0°
C3C2C1H13179.6°179.9°
C2C3O1H293.8°90.0°
C19C20C21H8180.0°179.8°
C20C19C24C232.2°0.5°
C19C20C21C221.9°0.2°
C19C20C21H9178.1°179.8°
C20C19C24H10177.8°179.8°
C20C19C9H2621.8°179.6°
C24C19C20C212.4°0.0°
C19C24C23H10180.0°179.2°
C19C24C23C221.3°0.8°
C24C19C20H8177.6°179.7°
C19C24C23H20178.7°180.0°
C24C19C9H26154.8°0.5°
C20C21C22H9180.0°180.0°
C20C21C22C231.1°0.0°
C20C21C22O3179.9°180.0°
C24C23C22C211.0°0.5°
C24C23C22H20180.0°179.2°
C24C23C22O3180.0°179.5°
C21C22C23O3179.1°180.0°
C21C22O3C2578.5°180.0°
C22C21C20H8178.1°180.0°
C21C22C23H20179.0°179.8°
C23C22O3C25102.4°0.1°
C23C22C21H9178.9°180.0°
C22C23C24H10178.7°180.0°
C22O3C25C26176.3°180.0°
O3C22C21H90.1°0.0°
O3C22C23H200.0°0.3°
C22O3C25H2156.1°60.1°
C22O3C25H2263.6°60.0°
O3C25C26H21120.2°120.0°
O3C25C26H22120.2°120.0°
O3C25C26N2106.5°65.0°
O3C25C26H1113.4°175.0°
O3C25C26H12133.6°54.9°
O3C25H21H22119.6°120.1°
C25C26N2H11119.9°120.0°
C25C26N2H12119.9°120.0°
C25C26N2C2729.3°180.0°
C25C26H11H12120.3°120.0°
C26C25H21H22119.5°120.0°
C25C26N2H27149.9°56.1°
C26N2C27H27120.6°124.0°
N2C26H11H12120.4°120.0°
N2C26C25H21133.3°175.0°
N2C26C25H2213.6°55.0°
C26N2C27H23180.0°180.0°
C26N2C27H2460.0°60.0°
C26N2C27H2560.0°60.0°
C27N2C26H1190.6°60.0°
C27N2C26H12149.2°60.0°
N2C27H23H24120.0°120.0°
N2C27H23H25120.0°120.0°
N2C27H24H25120.0°120.0°
H4C13C12H141.3°0.0°
H4C13C14H151.0°0.1°
H5C15C14H151.8°0.0°
H5C15C16H160.4°0.0°
H6C17C18H170.1°145.1°
H6C17C18H18140.4°0.0°
H7C17C18H17140.4°0.0°
H7C17C18H180.1°145.1°
H8C20C21H91.9°0.0°
H10C24C23H201.4°0.8°
H11C26C25H21106.8°55.0°
H11C26C25H22133.5°65.0°
H11C26N2H2730.0°176.1°
H12C26C25H2113.4°65.0°
H12C26C25H22106.2°175.0°
H12C26N2H2790.2°63.9°
H13C1C2H190.4°0.0°
H23C27H24H25120.0°120.0°
H23C27N2H2759.4°56.1°
H24C27N2H27179.4°176.0°
H25C27N2H2760.6°63.9°

222415

PDB entries from 2024-07-10

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