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DY4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C24C23sing1.51Å1.51Å
C23N1sing1.35Å1.32ÅAromatic
C23C22doub1.35Å1.37ÅAromatic
C1N1sing1.47Å1.48Å
N1N2sing1.40Å1.37ÅAromatic
C22C2sing1.40Å1.39ÅAromatic
N2C2doub1.31Å1.33ÅAromatic
C2N3sing1.40Å1.37Å
N3C3sing1.39Å1.37Å
C3C4doub1.37Å1.40Å
C3C6sing1.42Å1.45Å
C4C5sing1.41Å1.39Å
O1C6doub1.22Å1.26Å
C6N5sing1.35Å1.32Å
C21C20doub1.38Å1.39ÅAromatic
C21C7sing1.39Å1.39ÅAromatic
C5C7sing1.48Å1.49Å
C5N4doub1.31Å1.33Å
C20C19sing1.38Å1.37ÅAromatic
N5N4sing1.40Å1.40Å
C7C8doub1.39Å1.40ÅAromatic
C19F2sing1.35Å1.35Å
C19C9doub1.39Å1.36ÅAromatic
C8C9sing1.39Å1.39ÅAromatic
C8F1sing1.35Å1.33Å
C9N6sing1.40Å1.42Å
N6C10sing1.35Å1.34Å
O2C10doub1.22Å1.24Å
C10C11sing1.47Å1.49Å
C11C12doub1.36Å1.30ÅAromatic
C11S1sing1.76Å1.69ÅAromatic
C12C13sing1.38Å1.30ÅAromatic
S1C14sing1.71Å1.68ÅAromatic
C13C14doub1.35Å1.34ÅAromatic
C13C18sing1.52Å1.53Å
C14C15sing1.52Å1.52Å
C18C17sing1.53Å1.52Å
C15C16sing1.53Å1.52Å
C17C16sing1.53Å1.53Å
C4H4sing1.08Å1.08Å
C12H1sing1.08Å1.08Å
N3H2sing0.97Å1.00Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H243sing1.09Å1.10Å
N5H3sing0.97Å1.00Å
N6H5sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C24C23N1131.3°126.1°
C24C23C22119.3°126.1°
C23C24H241109.5°109.5°
C23C24H242109.4°109.4°
C23C24H243109.5°109.4°
N1C23C22109.4°107.9°
C23N1C1131.6°126.0°
C23N1N2111.4°108.1°
C23C22C2102.5°107.9°
C23C22H22128.8°126.1°
C1N1N2117.0°125.9°
N1C1H12109.5°109.4°
N1C1H13109.5°109.5°
N1C1H11109.5°109.5°
N1N2C2103.1°108.1°
C22C2N2113.6°108.0°
C22C2N3124.3°126.0°
C2C22H22128.8°126.1°
N2C2N3122.1°126.0°
C2N3C3128.4°120.0°
C2N3H2115.8°120.0°
N3C3C4127.9°120.4°
N3C3C6115.3°120.4°
C3N3H2115.8°120.0°
C4C3C6116.7°119.2°
C3C4C5120.0°119.6°
C3C4H4120.0°120.2°
C3C6O1119.7°120.3°
C3C6N5121.0°119.5°
C4C5C7120.7°119.7°
C4C5N4121.0°120.5°
C5C4H4120.0°120.2°
O1C6N5119.2°120.2°
C6N5N4120.5°120.3°
C6N5H3119.8°119.8°
C20C21C7120.3°120.0°
C21C20C19118.6°120.2°
C21C20H20120.7°119.9°
C20C21H21119.9°119.9°
C21C7C5119.8°120.1°
C21C7C8119.4°119.9°
C7C21H21119.8°120.0°
C7C5N4118.2°119.8°
C5C7C8120.7°120.1°
C5N4N5120.7°120.9°
C20C19F2119.3°120.0°
C20C19C9123.2°120.1°
C19C20H20120.7°119.8°
N4N5H3119.8°119.9°
C7C8C9120.2°119.8°
C7C8F1121.5°120.1°
F2C19C9117.5°119.9°
C19C9C8118.2°120.0°
C19C9N6122.7°120.0°
C9C8F1118.2°120.1°
C8C9N6119.1°120.0°
C9N6C10122.1°120.0°
C9N6H5118.9°120.0°
N6C10O2118.0°120.0°
N6C10C11121.6°120.0°
C10N6H5119.0°120.0°
O2C10C11120.4°120.0°
C10C11C12130.2°125.4°
C10C11S1118.2°125.5°
C12C11S1111.5°109.2°
C11C12C13115.7°114.0°
C11C12H1122.1°123.0°
C11S1C1489.0°91.8°
C12C13C14111.4°113.9°
C12C13C18126.7°123.0°
C13C12H1122.2°123.0°
S1C14C13112.4°111.2°
S1C14C15122.8°124.6°
C14C13C18121.9°123.0°
C13C14C15124.9°124.3°
C13C18C17110.8°108.8°
C13C18H181109.1°109.6°
C13C18H182109.2°109.6°
C14C15C16110.0°108.8°
C14C15H151109.3°109.6°
C14C15H152109.3°109.6°
C18C17C16111.6°109.2°
C18C17H171109.0°109.5°
C18C17H172108.9°109.5°
C17C18H181109.1°109.5°
C17C18H182109.1°109.6°
C15C16C17109.6°109.0°
C16C15H151109.3°109.6°
C16C15H152109.3°109.6°
C15C16H161109.5°109.6°
C15C16H162109.4°109.5°
C17C16H161109.4°109.6°
C17C16H162109.5°109.7°
C16C17H171108.9°109.5°
C16C17H172108.9°109.5°
H151C15H152109.4°109.7°
H12C1H13109.5°109.5°
H12C1H11109.5°109.5°
H13C1H11109.5°109.5°
H161C16H162109.5°109.5°
H171C17H172109.5°109.5°
H181C18H182109.4°109.7°
H241C24H242109.5°109.5°
H241C24H243109.4°109.5°
H242C24H243109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C24C23N1C22179.6°179.6°
C24C23N1C10.5°0.3°
C24C23N1N2176.3°180.0°
C24C23C22C2177.3°180.0°
C24C23C22H222.7°0.3°
C23C24H241H242120.0°120.0°
C23C24H241H243120.0°120.0°
C23C24H242H243120.0°120.0°
C23N1C1N2176.7°179.7°
N1C23C22C22.4°0.4°
C23N1N2C22.7°0.2°
C23N1C1H12176.7°89.7°
C23N1C1H1363.3°30.3°
C23N1C1H1156.7°150.3°
N1C23C22H22177.6°179.9°
N1C23C24H24190.2°90.0°
N1C23C24H242149.8°150.0°
N1C23C24H24329.8°30.0°
C22C23N1C1179.8°179.9°
C22C23N1N23.3°0.4°
C23C22C2H22180.0°179.7°
C23C22C2N20.7°0.2°
C23C22C2N3177.4°179.7°
C22C23C24H24190.2°90.5°
C22C23C24H24229.8°29.5°
C22C23C24H243149.8°149.5°
C1N1N2C2180.0°180.0°
N1C1H12H13120.0°120.0°
N1C1H12H11120.0°120.0°
N1C1H13H11120.0°120.0°
N1N2C2C221.1°0.0°
N1N2C2N3179.3°180.0°
N2N1C1H120.0°90.0°
N2N1C1H13120.0°150.0°
N2N1C1H11120.0°30.0°
C22C2N2N3178.2°180.0°
C22C2N3C3172.4°6.0°
C22C2N3H27.7°173.9°
N2C2N3C39.6°174.0°
N2C2N3H2170.3°6.1°
N2C2C22H22179.3°180.0°
C2N3C3H2180.0°179.9°
C2N3C3C410.4°123.0°
C2N3C3C6172.5°57.0°
N3C2C22H222.6°0.0°
N3C3C4C6177.1°180.0°
N3C3C4C5179.1°179.9°
N3C3C6O12.9°0.2°
N3C3C6N5179.7°179.5°
N3C3C4H40.9°0.3°
C3C4C5H4180.0°179.6°
C4C3C6O1179.7°179.7°
C4C3C6N52.9°0.4°
C3C4C5C7178.5°179.7°
C3C4C5N41.7°0.3°
C4C3N3H2169.6°56.9°
C6C3C4C52.1°0.1°
C3C6O1N5176.8°179.3°
C3C6N5N43.2°0.7°
C6C3C4H4178.0°179.7°
C6C3N3H27.5°123.1°
C3C6N5H3176.8°180.0°
C4C5C7C2136.4°0.3°
C4C5C7N4176.9°180.0°
C4C5N4N51.9°0.0°
C4C5C7C8138.8°180.0°
O1C6N5N4180.0°180.0°
O1C6N5H30.0°0.7°
C6N5N4C52.7°0.5°
C6N5N4H3180.0°179.3°
C20C21C7H21180.0°179.4°
C20C21C7C5178.2°179.7°
C21C20C19H20180.0°179.6°
C20C21C7C82.9°0.6°
C21C20C19F2178.8°179.7°
C21C20C19C90.1°0.4°
C21C7C5C8175.2°179.7°
C21C7C5N4146.7°179.8°
C7C21C20C191.4°0.6°
C21C7C8C93.1°0.3°
C21C7C8F1179.0°179.8°
C7C21C20H20178.6°179.7°
C7C5N4N5178.8°180.0°
C5C7C8C9178.3°180.0°
C5C7C8F13.8°0.1°
C7C5C4H41.5°0.0°
C5C7C21H211.8°0.3°
N4C5C7C838.1°0.1°
N4C5C4H4178.4°179.9°
C5N4N5H3177.3°179.8°
C20C19F2C9178.8°179.9°
C20C19C9C80.0°0.1°
C20C19C9N6179.7°179.9°
C19C20C21H21178.6°179.9°
C7C8C9C191.6°0.0°
C7C8C9F1178.0°179.9°
C7C8C9N6178.7°180.0°
C8C7C21H21177.1°180.0°
F2C19C9C8178.7°180.0°
F2C19C9N61.0°0.0°
F2C19C20H201.2°0.1°
C19C9C8N6179.7°180.0°
C19C9C8F1179.6°180.0°
C19C9N6C1063.7°46.8°
C9C19C20H20179.9°180.0°
C19C9N6H5116.3°133.2°
C8C9N6C10116.6°133.1°
C8C9N6H563.4°46.9°
F1C8C9N60.7°0.0°
C9N6C10H5180.0°180.0°
C9N6C10O20.0°5.6°
C9N6C10C11178.9°174.3°
N6C10O2C11178.9°180.0°
N6C10C11C124.1°180.0°
N6C10C11S1173.7°0.3°
O2C10C11C12177.0°0.0°
O2C10C11S15.2°179.7°
O2C10N6H5180.0°174.4°
C10C11C12S1177.9°179.7°
C10C11C12C13179.0°180.0°
C10C11S1C14178.7°179.9°
C10C11C12H11.0°0.1°
C11C10N6H51.1°5.7°
C11C12C13H1180.0°180.0°
C12C11S1C140.5°0.4°
C11C12C13C141.2°0.0°
C11C12C13C18179.7°180.0°
S1C11C12C131.1°0.3°
C11S1C14C130.1°0.4°
C11S1C14C15179.7°179.9°
S1C11C12H1178.9°179.7°
C12C13C14S10.8°0.3°
C12C13C14C18178.6°180.0°
C12C13C14C15179.7°180.0°
C12C13C18C17165.5°162.7°
C12C13C18H18174.3°77.6°
C12C13C18H18245.3°42.9°
S1C14C13C15179.6°179.7°
S1C14C13C18179.3°179.7°
S1C14C15C16162.2°163.7°
S1C14C15H15177.7°76.5°
S1C14C15H15242.1°43.9°
C14C13C18C1712.9°17.3°
C13C14C15C1617.3°16.7°
C14C13C12H1178.8°180.0°
C13C14C15H151102.8°103.2°
C13C14C15H152137.4°136.5°
C14C13C18H181107.3°102.4°
C14C13C18H182133.1°137.1°
C18C13C14C151.1°0.1°
C13C18C17H181120.2°119.8°
C13C18C17H182120.2°119.8°
C13C18C17C1645.4°51.1°
C18C13C12H10.3°0.1°
C13C18C17H171165.7°68.9°
C13C18C17H17274.9°171.0°
C13C18H181H182119.4°120.4°
C14C15C16H151120.1°119.8°
C14C15C16H152120.1°119.8°
C14C15C16C1748.6°50.2°
C14C15H151H152119.7°120.3°
C14C15C16H161168.6°170.0°
C14C15C16H16271.4°69.8°
C18C17C16C1565.5°70.8°
C18C17C16H171120.3°119.9°
C18C17C16H172120.3°120.0°
C18C17C16H161174.5°169.3°
C18C17C16H16254.5°49.1°
C18C17H171H172119.1°120.1°
C17C18H181H182119.3°120.3°
C15C16C17H161120.0°119.9°
C15C16C17H162120.0°119.9°
C16C15H151H152119.7°120.4°
C15C16H161H162119.9°120.2°
C15C16C17H171174.2°49.1°
C15C16C17H17254.8°169.2°
C17C16C15H15171.5°69.7°
C17C16C15H152168.7°169.9°
C17C16H161H162120.0°120.3°
C16C17H171H172119.0°120.1°
C16C17C18H18174.8°68.7°
C16C17C18H182165.6°170.9°
H151C15C16H16148.5°50.2°
H151C15C16H162168.5°170.4°
H152C15C16H16171.3°70.2°
H152C15C16H16248.6°50.0°
H12C1H13H11120.0°120.0°
H161C16C17H17154.2°70.8°
H161C16C17H17265.2°49.3°
H162C16C17H17165.8°169.0°
H162C16C17H172174.8°70.9°
H171C17C18H18145.5°171.4°
H171C17C18H18274.1°50.9°
H172C17C18H181164.9°51.3°
H172C17C18H18245.3°69.2°
H20C20C21H211.3°0.3°
H241C24H242H243120.0°120.1°

223532

PDB entries from 2024-08-07

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