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66T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.52Å
CHsing1.09Å1.10Å
CHAsing1.09Å1.10Å
CHBsing1.09Å1.10Å
NC2sing1.47Å1.46Å
NC3sing1.47Å1.46Å
NC6sing1.39Å1.41Å
OC12doub1.22Å1.23Å
C1N1sing1.47Å1.47Å
C1C2sing1.53Å1.48Å
C1H1sing1.09Å1.10Å
N1C4sing1.47Å1.47Å
N1HN1sing1.01Å1.00Å
O1C22sing1.36Å1.37Å
O1C24sing1.43Å1.43Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N2C12sing1.35Å1.37Å
N2C13sing1.39Å1.39Å
N2HN2sing0.97Å1.00Å
O2C20sing1.36Å1.37Å
O2C25sing1.43Å1.43Å
C3C4sing1.53Å1.55Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
N3N4sing1.40Å1.36ÅAromatic
N3C15doub1.31Å1.32ÅAromatic
C4C5sing1.53Å1.52Å
C4H4sing1.09Å1.10Å
N4C13sing1.36Å1.37ÅAromatic
N4HN4sing0.97Å1.00Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C5H5Bsing1.09Å1.10Å
C6C7doub1.39Å1.40ÅAromatic
C6C11sing1.39Å1.39ÅAromatic
C7C8sing1.38Å1.38ÅAromatic
C7H7sing1.08Å1.08Å
C8C9doub1.40Å1.39ÅAromatic
C8H8sing1.08Å1.08Å
C9C10sing1.40Å1.39ÅAromatic
C9C12sing1.48Å1.50Å
C10C11doub1.38Å1.38ÅAromatic
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C13C14doub1.36Å1.37ÅAromatic
C14C15sing1.40Å1.41ÅAromatic
C14H14sing1.08Å1.08Å
C15C16sing1.51Å1.50Å
C16C17sing1.53Å1.54Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17C18sing1.51Å1.51Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C18C19doub1.38Å1.39ÅAromatic
C18C23sing1.38Å1.39ÅAromatic
C19C20sing1.39Å1.39ÅAromatic
C19H19sing1.08Å1.08Å
C20C21doub1.39Å1.39ÅAromatic
C21C22sing1.39Å1.39ÅAromatic
C21H21sing1.08Å1.08Å
C22C23doub1.39Å1.39ÅAromatic
C23H23sing1.08Å1.08Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C24H24Bsing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CH109.5°109.5°
C1CHA109.5°109.5°
C1CHB109.5°109.5°
CC1N1109.0°109.5°
CC1C2111.5°109.5°
CC1H1107.1°109.5°
HCHA109.5°109.5°
HCHB109.5°109.5°
HACHB109.5°109.4°
C2NC3113.5°110.9°
C2NC6115.9°111.0°
NC2C1112.6°109.4°
NC2H2108.7°109.5°
NC2H2A108.7°109.4°
C3NC6116.8°111.0°
NC3C4111.3°109.4°
NC3H3109.0°109.5°
NC3H3A109.0°109.5°
NC6C7121.6°120.0°
NC6C11120.1°119.9°
OC12N2122.0°120.1°
OC12C9120.8°120.0°
N1C1C2113.5°109.4°
N1C1H1107.7°109.5°
C1N1C4114.1°110.9°
C1N1HN1108.3°111.0°
C2C1H1107.7°109.5°
C1C2H2108.7°109.5°
C1C2H2A108.7°109.5°
C4N1HN1108.3°111.0°
N1C4C3110.7°109.3°
N1C4C5109.1°109.5°
N1C4H4109.1°109.5°
C22O1C24118.0°117.0°
O1C22C21118.2°120.0°
O1C22C23119.5°120.1°
O1C24H24109.5°109.5°
O1C24H24A109.5°109.5°
O1C24H24B109.4°109.5°
H2C2H2A109.5°109.5°
C12N2C13126.3°120.0°
C12N2HN2116.8°120.1°
N2C12C9117.0°119.9°
C13N2HN2116.8°120.0°
N2C13N4122.1°126.3°
N2C13C14131.3°126.3°
C20O2C25118.7°117.0°
O2C20C19116.5°120.1°
O2C20C21119.3°120.0°
O2C25H25109.5°109.4°
O2C25H25A109.5°109.5°
O2C25H25B109.5°109.5°
C4C3H3109.0°109.4°
C4C3H3A109.0°109.5°
C3C4C5111.1°109.5°
C3C4H4108.2°109.4°
H3C3H3A109.5°109.5°
N4N3C15105.1°108.4°
N3N4C13111.6°107.8°
N3N4HN4124.2°126.1°
N3C15C14111.5°108.5°
N3C15C16120.5°125.8°
C5C4H4108.6°109.5°
C4C5H5109.5°109.4°
C4C5H5A109.5°109.5°
C4C5H5B109.5°109.4°
C13N4HN4124.2°126.1°
N4C13C14106.6°107.5°
H5C5H5A109.5°109.5°
H5C5H5B109.5°109.4°
H5AC5H5B109.4°109.5°
C7C6C11118.3°120.1°
C6C7C8120.5°120.1°
C6C7H7119.7°119.9°
C6C11C10120.8°120.1°
C6C11H11119.6°120.0°
C8C7H7119.7°120.0°
C7C8C9120.9°119.9°
C7C8H8119.6°120.0°
C9C8H8119.5°120.1°
C8C9C10118.4°119.9°
C8C9C12123.3°120.0°
C10C9C12118.3°120.1°
C9C10C11121.0°119.9°
C9C10H10119.5°120.1°
C11C10H10119.5°120.0°
C10C11H11119.6°119.9°
C13C14C15105.3°107.8°
C13C14H14127.4°126.1°
C15C14H14127.4°126.1°
C14C15C16128.0°125.8°
C15C16C17113.7°109.5°
C15C16H16108.4°109.5°
C15C16H16A108.4°109.5°
C17C16H16108.4°109.5°
C17C16H16A108.4°109.5°
C16C17C18108.0°109.5°
C16C17H17109.8°109.5°
C16C17H17A109.8°109.4°
H16C16H16A109.5°109.5°
C18C17H17109.9°109.5°
C18C17H17A109.8°109.5°
C17C18C19120.1°119.9°
C17C18C23119.9°120.0°
H17C17H17A109.5°109.5°
C19C18C23119.1°120.1°
C18C19C20120.0°120.1°
C18C19H19120.0°119.9°
C18C23C22120.1°120.1°
C18C23H23120.0°120.0°
C20C19H19120.0°120.0°
C19C20C21120.9°119.9°
C20C21C22118.8°119.9°
C20C21H21120.6°120.1°
C22C21H21120.6°120.0°
C21C22C23120.9°119.9°
C22C23H23119.9°119.9°
H24C24H24A109.4°109.4°
H24C24H24B109.5°109.5°
H24AC24H24B109.5°109.5°
H25C25H25A109.5°109.5°
H25C25H25B109.4°109.4°
H25AC25H25B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CHHA120.0°120.0°
C1CHHB120.0°120.0°
C1CHAHB120.0°120.0°
CC1C2N173.2°178.4°
CC1N1C2125.0°119.9°
CC1N1H1115.9°120.1°
CC1C2H1117.2°120.0°
CC1N1C4174.6°179.3°
CC1N1HN164.7°56.8°
CC1C2H266.3°61.7°
CC1C2H2A52.7°58.4°
HCHAHB120.0°120.0°
HCC1N1180.0°60.0°
HCC1C253.9°179.9°
HCC1H163.7°60.1°
HACC1N160.0°180.0°
HACC1C266.2°60.1°
HACC1H1176.3°59.9°
HBCC1N160.0°60.0°
HBCC1C2173.9°59.9°
HBCC1H156.3°179.9°
C2NC3C6139.0°123.9°
NC2C1N149.6°58.4°
NC2C1H2120.5°120.0°
NC2C1H2A120.5°119.9°
NC2C1H169.5°61.6°
NC2H2H2A118.6°120.0°
C2NC3C453.9°59.3°
C2NC3H366.4°60.7°
C2NC3H3A174.1°179.3°
C2NC6C7101.7°180.0°
C2NC6C1181.4°0.3°
C3NC2C153.0°59.3°
NC3C4N151.6°58.4°
C3NC2H2173.5°179.3°
C3NC2H2A67.5°60.7°
NC3C4H3120.3°120.0°
NC3C4H3A120.3°120.0°
NC3H3H3A119.2°120.0°
NC3C4C5172.9°178.4°
NC3C4H467.9°61.6°
C3NC6C736.3°56.2°
C3NC6C11140.6°123.5°
C6NC2C1167.6°176.8°
C6NC2H247.1°56.8°
C6NC2H2A71.9°63.2°
C6NC3C4167.1°176.8°
C6NC3H372.6°63.2°
C6NC3H3A46.8°56.8°
NC6C7C11177.0°179.7°
NC6C7C8177.8°180.0°
NC6C7H72.2°0.0°
NC6C11C10178.1°179.7°
NC6C11H111.9°0.0°
OC12N2C9176.3°180.0°
OC12N2C134.1°0.0°
OC12N2HN2175.9°180.0°
OC12C9C8157.1°0.1°
OC12C9C1020.9°179.9°
N1C1C2H1119.1°120.0°
C1N1C4HN1120.7°123.9°
N1C1C2H2170.0°178.4°
N1C1C2H2A70.9°61.5°
C1N1C4C349.8°59.3°
C1N1C4C5172.3°179.3°
C1N1C4H469.2°60.6°
C2C1N1C449.6°59.4°
C2C1N1HN1170.3°176.8°
C1C2H2H2A118.6°120.1°
H1C1N1C469.5°60.6°
H1C1N1HN151.2°63.2°
H1C1C2H250.9°58.4°
H1C1C2H2A170.0°178.5°
N1C4C3C5121.3°120.0°
N1C4C3H4119.5°119.9°
N1C4C3H368.7°61.6°
N1C4C3H3A171.9°178.4°
N1C4C5H4118.9°120.1°
N1C4C5H5180.0°60.0°
N1C4C5H5A60.0°180.0°
N1C4C5H5B60.0°60.0°
HN1N1C4C3170.5°176.8°
HN1N1C4C567.0°56.8°
HN1N1C4H451.5°63.3°
O1C22C23C18168.4°179.7°
O1C22C21C20165.8°180.0°
O1C22C21C23166.5°179.8°
O1C22C21H2114.2°0.0°
O1C22C23H2311.6°0.1°
C22O1C24H24180.0°180.0°
C22O1C24H24A60.0°60.0°
C22O1C24H24B60.0°60.0°
C24O1C22C2139.2°0.0°
C24O1C22C23154.1°179.8°
O1C24H24H24A120.0°120.0°
O1C24H24H24B120.0°120.0°
O1C24H24AH24B120.0°120.0°
C12N2C13HN2180.0°180.0°
C12N2C13N4178.1°180.0°
N2C12C9C826.5°180.0°
N2C12C9C10155.5°0.1°
C12N2C13C141.4°0.1°
N2C13N4N3179.4°180.0°
N2C13N4C14179.6°180.0°
N2C13N4HN40.6°0.0°
C13N2C12C9172.3°180.0°
N2C13C14C15179.1°180.0°
N2C13C14H140.9°0.1°
HN2N2C13N41.9°0.1°
HN2N2C12C97.7°0.0°
HN2N2C13C14178.6°179.9°
O2C20C19C18158.7°180.0°
O2C20C19C21159.1°180.0°
O2C20C19H1921.3°0.1°
O2C20C21C22160.0°180.0°
O2C20C21H2119.9°0.0°
C20O2C25H25180.0°60.0°
C20O2C25H25A60.0°60.0°
C20O2C25H25B60.0°180.0°
C25O2C20C19162.2°180.0°
C25O2C20C2138.3°0.0°
O2C25H25H25A120.0°120.0°
O2C25H25H25B120.0°120.0°
O2C25H25AH25B120.0°120.0°
C4C3H3H3A119.1°120.0°
C3C4C5H4118.9°120.0°
C3C4C5H557.7°59.9°
C3C4C5H5A177.8°60.1°
C3C4C5H5B62.3°179.9°
H3C3C4C552.7°58.4°
H3C3C4H4171.8°178.5°
H3AC3C4C566.8°61.6°
H3AC3C4H452.3°58.5°
N3N4C13HN4180.0°180.0°
N3N4C13C140.2°0.0°
N4N3C15C140.5°0.0°
N4N3C15C16179.0°180.0°
C15N3N4C130.2°0.0°
C15N3N4HN4179.8°180.0°
N3C15C14C130.7°0.0°
N3C15C14C16178.3°180.0°
N3C15C14H14179.4°179.9°
N3C15C16C17152.3°55.0°
N3C15C16H1631.6°65.0°
N3C15C16H16A87.1°175.0°
C4C5H5H5A120.0°120.0°
C4C5H5H5B120.0°119.9°
C4C5H5AH5B120.0°120.0°
H4C4C5H561.1°180.0°
H4C4C5H5A58.9°59.9°
H4C4C5H5B178.8°60.1°
N4C13C14C150.5°0.0°
N4C13C14H14179.5°179.9°
HN4N4C13C14179.8°180.0°
H5C5H5AH5B120.0°120.0°
C6C7C8H7180.0°180.0°
C6C7C8C90.8°0.1°
C6C7C8H8179.2°180.0°
C7C6C11C101.1°0.6°
C7C6C11H11178.9°179.7°
C11C6C7C80.9°0.3°
C11C6C7H7179.2°179.7°
C6C11C10C91.4°0.6°
C6C11C10H11180.0°179.7°
C6C11C10H10178.6°179.7°
C7C8C9H8180.0°179.9°
C7C8C9C100.9°0.1°
C7C8C9C12178.9°180.0°
H7C7C8C9179.2°180.0°
H7C7C8H80.8°0.1°
C8C9C10C12178.1°179.9°
C8C9C10C111.2°0.4°
C8C9C10H10178.8°179.9°
H8C8C9C10179.0°180.0°
H8C8C9C121.1°0.1°
C9C10C11H10180.0°179.7°
C9C10C11H11178.6°179.7°
C12C9C10C11179.3°179.8°
C12C9C10H100.7°0.0°
H10C10C11H111.4°0.0°
C13C14C15H14180.0°179.9°
C13C14C15C16179.0°180.0°
C14C15C16C1729.6°125.0°
C14C15C16H16150.2°115.0°
C14C15C16H16A91.0°5.0°
H14C14C15C161.1°0.1°
C15C16C17H16120.6°120.0°
C15C16C17H16A120.6°120.0°
C15C16H16H16A118.1°120.0°
C15C16C17C18164.6°180.0°
C15C16C17H1775.6°60.0°
C15C16C17H17A44.9°60.0°
C17C16H16H16A118.1°120.0°
C16C17C18H17119.8°120.0°
C16C17C18H17A119.8°120.0°
C16C17H17H17A120.7°120.0°
C16C17C18C1970.0°90.0°
C16C17C18C2399.6°90.2°
H16C16C17C1844.0°60.0°
H16C16C17H17163.8°180.0°
H16C16C17H17A75.8°60.0°
H16AC16C17C1874.7°60.0°
H16AC16C17H1745.0°60.0°
H16AC16C17H17A165.5°180.0°
C18C17H17H17A120.7°120.0°
C17C18C19C23169.7°179.8°
C17C18C19C20172.8°180.0°
C17C18C19H197.1°0.1°
C17C18C23C22173.7°179.8°
C17C18C23H236.3°0.0°
H17C17C18C1949.8°30.0°
H17C17C18C23140.6°149.8°
H17AC17C18C19170.3°150.1°
H17AC17C18C2320.2°29.7°
C18C19C20H19180.0°179.9°
C18C19C20C210.4°0.0°
C19C18C23C224.0°0.4°
C19C18C23H23176.0°179.8°
C23C18C19C203.2°0.2°
C23C18C19H19176.8°179.7°
C18C23C22C212.1°0.4°
C18C23C22H23180.0°179.8°
C19C20C21C221.5°0.0°
C19C20C21H21178.5°180.0°
H19C19C20C21179.5°180.0°
C20C21C22H21180.0°180.0°
C20C21C22C230.6°0.2°
C21C22C23H23177.9°179.8°
H21C21C22C23179.3°179.8°
H24C24H24AH24B120.0°120.0°
H25C25H25AH25B120.0°119.9°

223166

PDB entries from 2024-07-31

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