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NU5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2S1doub1.42Å1.44Å
S1O3doub1.42Å1.44Å
S1C22sing1.81Å1.67Å
S1C19sing1.76Å1.61Å
C22C23sing1.53Å1.52Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C23N6sing1.47Å1.45Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
N6C24sing1.47Å1.46Å
N6HN6sing1.01Å1.00Å
C24C25sing1.53Å1.53Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C25C26sing1.53Å1.53Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C26O4sing1.43Å1.44Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
C19C18sing1.38Å1.39ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C18C17doub1.38Å1.39ÅAromatic
C18H18sing1.08Å1.08Å
C17C16sing1.39Å1.39ÅAromatic
C17H17sing1.08Å1.08Å
C16C21doub1.39Å1.39ÅAromatic
C16N2sing1.40Å1.37Å
C21C20sing1.38Å1.39ÅAromatic
C21H21sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
N2C2sing1.39Å1.35Å
N2HN2sing0.97Å1.00Å
C2N1doub1.33Å1.36ÅAromatic
C2N3sing1.32Å1.36ÅAromatic
N1C6sing1.33Å1.36ÅAromatic
C6C5doub1.40Å1.47ÅAromatic
C6O6sing1.35Å1.36Å
C5N7sing1.36Å1.34ÅAromatic
C5C4sing1.41Å1.47ÅAromatic
N7C8doub1.30Å1.35ÅAromatic
C8N9sing1.36Å1.36ÅAromatic
C8H8sing1.08Å1.08Å
N9C4sing1.37Å1.33ÅAromatic
N9HN9sing0.97Å1.00Å
C4N3doub1.33Å1.36ÅAromatic
O6C9sing1.43Å1.42Å
C9C10sing1.53Å1.53Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C10C15sing1.53Å1.55Å
C10C11sing1.53Å1.54Å
C10H10sing1.09Å1.10Å
C15C14sing1.53Å1.52Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C14C13sing1.53Å1.52Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C13C12sing1.53Å1.52Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C12C11sing1.53Å1.52Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2S1O3106.6°122.1°
O2S1C22111.6°111.6°
O2S1C19110.9°102.8°
O3S1C22110.9°111.6°
O3S1C19106.5°102.8°
C22S1C19110.2°103.2°
S1C22C23111.8°109.5°
S1C22H221108.7°109.5°
S1C22H222108.2°109.5°
S1C19C18121.1°119.9°
S1C19C20120.3°119.9°
C23C22H221108.7°109.4°
C23C22H222108.2°109.4°
C22C23N6112.0°109.5°
C22C23H231108.6°109.5°
C22C23H232108.1°109.5°
H221C22H222111.3°109.4°
N6C23H231108.6°109.5°
N6C23H232108.1°109.5°
C23N6C24118.9°106.7°
C23N6HN6106.5°106.7°
H231C23H232111.5°109.4°
C24N6HN6106.4°106.8°
N6C24C25113.4°109.4°
N6C24H241108.2°109.5°
N6C24H242107.3°109.5°
C25C24H241108.2°109.5°
C25C24H242107.3°109.5°
C24C25C26111.5°109.5°
C24C25H251108.8°109.5°
C24C25H252108.3°109.5°
H241C24H242112.6°109.5°
C26C25H251108.8°109.5°
C26C25H252108.3°109.5°
C25C26O4108.8°109.4°
C25C26H261109.7°109.4°
C25C26H262109.8°109.5°
H251C25H252111.1°109.5°
O4C26H261109.7°109.5°
O4C26H262109.9°109.5°
C26O4HO4109.5°106.8°
H261C26H262109.0°109.5°
C18C19C20118.6°120.2°
C19C18C17120.3°120.1°
C19C18H18119.9°119.9°
C19C20C21120.9°120.1°
C19C20H20119.6°120.0°
C17C18H18119.9°120.0°
C18C17C16121.6°119.9°
C18C17H17119.2°120.0°
C16C17H17119.2°120.1°
C17C16C21118.0°119.9°
C17C16N2118.8°120.0°
C21C16N2123.2°120.0°
C16C21C20120.6°119.9°
C16C21H21119.7°120.1°
C16N2C2126.3°120.0°
C16N2HN2116.8°120.0°
C20C21H21119.7°120.0°
C21C20H20119.6°119.9°
C2N2HN2116.9°120.0°
N2C2N1120.7°118.9°
N2C2N3117.6°118.9°
N1C2N3121.7°122.2°
C2N1C6121.8°121.2°
C2N3C4121.6°120.6°
N1C6C5119.0°118.6°
N1C6O6123.6°120.6°
C5C6O6117.4°120.7°
C6C5N7134.8°134.6°
C6C5C4116.4°118.3°
C6O6C9121.3°106.8°
N7C5C4108.8°107.1°
C5N7C8106.0°109.5°
C5C4N9105.1°106.0°
C5C4N3119.4°119.1°
N7C8N9111.8°110.0°
N7C8H8124.1°125.0°
N9C8H8124.1°125.0°
C8N9C4108.4°107.4°
C8N9HN9125.8°126.3°
C4N9HN9125.8°126.3°
N9C4N3135.5°134.8°
O6C9C10104.3°109.5°
O6C9H91111.2°109.5°
O6C9H92112.3°109.5°
C10C9H91111.2°109.5°
C10C9H92112.3°109.4°
C9C10C15110.7°109.4°
C9C10C11111.5°109.5°
C9C10H10111.7°109.4°
H91C9H92105.6°109.5°
C15C10C11119.6°109.5°
C15C10H10101.6°109.5°
C10C15C14117.6°109.4°
C10C15H151106.8°109.5°
C10C15H152105.0°109.5°
C11C10H10100.6°109.5°
C10C11C12113.5°109.5°
C10C11H111108.1°109.5°
C10C11H112107.2°109.5°
C14C15H151106.8°109.5°
C14C15H152104.9°109.5°
C15C14C13112.6°109.5°
C15C14H141108.5°109.5°
C15C14H142107.7°109.4°
H151C15H152116.1°109.5°
C13C14H141108.4°109.5°
C13C14H142107.8°109.5°
C14C13C12108.6°109.4°
C14C13H131109.8°109.5°
C14C13H132110.0°109.5°
H141C14H142111.9°109.5°
C12C13H131109.8°109.5°
C12C13H132109.9°109.4°
C13C12C11109.5°109.5°
C13C12H121109.4°109.5°
C13C12H122109.5°109.5°
H131C13H132108.8°109.4°
C11C12H121109.5°109.5°
C11C12H122109.4°109.5°
C12C11H111108.2°109.5°
C12C11H112107.2°109.4°
H121C12H122109.5°109.4°
H111C11H112112.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2S1O3C22121.7°135.8°
O2S1O3C19118.4°114.2°
O2S1C22C19123.6°109.7°
O2S1C22C23102.4°70.3°
O2S1C22H221137.6°169.7°
O2S1C22H22216.6°49.7°
O2S1C19C181.7°26.2°
O2S1C19C20176.0°153.5°
O3S1C22C19117.7°109.7°
O3S1C22C2316.3°70.3°
O3S1C22H221103.7°49.7°
O3S1C22H222135.3°169.8°
O3S1C19C18117.3°153.8°
O3S1C19C2060.5°25.9°
S1C22C23H221120.0°120.1°
S1C22C23H222119.0°120.0°
S1C22H221H222119.1°120.1°
S1C22C23N670.7°180.0°
S1C22C23H231169.3°60.0°
S1C22C23H23248.2°60.0°
C22S1C19C18122.4°90.0°
C22S1C19C2059.9°90.3°
C19S1C22C23134.0°180.0°
C19S1C22H22114.0°60.0°
C19S1C22H222107.0°60.0°
S1C19C18C20177.8°179.7°
S1C19C18C17178.2°180.0°
S1C19C18H181.8°0.0°
S1C19C20C21178.0°179.8°
S1C19C20H202.0°0.3°
C23C22H221H222119.0°119.9°
C22C23N6H231120.0°120.0°
C22C23N6H232118.9°120.0°
C22C23H231H232119.0°120.0°
C22C23N6C24160.8°180.0°
C22C23N6HN679.2°66.2°
H221C22C23N649.3°59.9°
H221C22C23H23170.7°180.0°
H221C22C23H232168.2°60.1°
H222C22C23N6170.3°60.0°
H222C22C23H23150.3°60.1°
H222C22C23H23270.8°180.0°
N6C23H231H232119.0°119.9°
C23N6C24HN6120.0°113.8°
C23N6C24C25117.7°180.0°
C23N6C24H241122.3°60.0°
C23N6C24H2420.6°60.0°
H231C23N6C2440.8°60.0°
H231C23N6HN6160.8°173.8°
H232C23N6C2480.3°60.0°
H232C23N6HN639.7°53.9°
N6C24C25H241120.0°120.0°
N6C24C25H242118.3°120.0°
N6C24H241H242118.4°120.1°
N6C24C25C2673.8°180.0°
N6C24C25H251166.2°60.0°
N6C24C25H25245.3°60.0°
HN6N6C24C252.3°66.2°
HN6N6C24H241117.7°173.8°
HN6N6C24H242120.6°53.7°
C25C24H241H242118.4°120.0°
C24C25C26H251120.0°120.0°
C24C25C26H252119.1°120.0°
C24C25H251H252119.2°120.0°
C24C25C26O4132.8°180.0°
C24C25C26H26112.9°60.0°
C24C25C26H262106.9°60.0°
H241C24C25C26166.2°60.0°
H241C24C25H25146.2°NaN°
H241C24C25H25274.7°60.0°
H242C24C25C2644.5°60.0°
H242C24C25H25175.5°60.0°
H242C24C25H252163.6°180.0°
C26C25H251H252119.1°120.0°
C25C26O4H261120.0°119.9°
C25C26O4H262120.3°120.1°
C25C26H261H262120.3°120.0°
C25C26O4HO488.2°180.0°
H251C25C26O4107.1°60.1°
H251C25C26H261132.9°180.0°
H251C25C26H26213.1°60.0°
H252C25C26O413.7°60.0°
H252C25C26H261106.3°60.0°
H252C25C26H262134.0°180.0°
O4C26H261H262120.3°120.1°
H261C26O4HO4151.9°60.1°
H262C26O4HO432.1°60.0°
C19C18C17H18180.0°180.0°
C19C18C17C160.3°0.0°
C19C18C17H17179.7°180.0°
C18C19C20C210.2°0.5°
C18C19C20H20179.8°180.0°
C20C19C18C170.4°0.2°
C20C19C18H18179.6°179.7°
C19C20C21C160.2°0.5°
C19C20C21H20180.0°179.5°
C19C20C21H21179.8°179.7°
C18C17C16H17180.0°179.9°
C18C17C16C210.1°0.0°
C18C17C16N2179.9°180.0°
H18C18C17C16179.7°180.0°
H18C18C17H170.3°0.1°
C17C16C21N2179.8°180.0°
C17C16C21C200.3°0.3°
C17C16C21H21179.7°179.9°
C17C16N2C2179.5°34.1°
C17C16N2HN20.5°145.9°
H17C17C16C21179.9°179.9°
H17C17C16N20.1°0.1°
C16C21C20H21180.0°179.8°
C16C21C20H20179.8°180.0°
C21C16N2C20.7°145.9°
C21C16N2HN2179.3°34.1°
N2C16C21C20179.9°179.7°
N2C16C21H210.1°0.1°
C16N2C2HN2180.0°180.0°
C16N2C2N10.5°5.9°
C16N2C2N3179.6°174.4°
H21C21C20H200.2°0.2°
N2C2N1N3179.9°179.7°
N2C2N1C6180.0°179.8°
N2C2N3C4179.8°180.0°
HN2N2C2N1179.5°174.1°
HN2N2C2N30.4°5.6°
C2N1C6C50.1°0.5°
C2N1C6O6179.6°179.7°
N1C2N3C40.3°0.3°
N3C2N1C60.1°0.5°
C2N3C4C50.4°0.0°
C2N3C4N9179.8°179.9°
N1C6C5O6179.5°179.8°
N1C6C5N7179.7°179.8°
N1C6C5C40.0°0.2°
N1C6O6C951.3°0.2°
C6C5N7C4179.8°179.9°
C6C5N7C8179.8°179.9°
C6C5C4N9179.8°180.0°
C6C5C4N30.2°0.1°
C5C6O6C9129.2°180.0°
O6C6C5N70.2°0.0°
O6C6C5C4179.5°180.0°
C6O6C9C10131.5°180.0°
C6O6C9H91108.5°60.0°
C6O6C9H929.6°60.0°
C5N7C8N90.3°0.1°
C5N7C8H8179.7°179.9°
N7C5C4N90.4°0.0°
N7C5C4N3180.0°180.0°
C4C5N7C80.4°0.0°
C5C4N9C80.2°0.1°
C5C4N9N3179.5°179.9°
C5C4N9HN9179.8°179.9°
N7C8N9H8180.0°179.9°
N7C8N9C40.0°0.1°
N7C8N9HN9180.0°179.9°
C8N9C4HN9180.0°179.8°
C8N9C4N3179.7°180.0°
H8C8N9C4180.0°180.0°
H8C8N9HN90.1°0.2°
HN9N9C4N30.3°0.2°
O6C9C10H91120.0°120.0°
O6C9C10H92121.9°120.0°
O6C9H91H92122.1°120.0°
O6C9C10C1546.4°175.0°
O6C9C10C11177.8°65.0°
O6C9C10H1066.1°55.0°
C10C9H91H92122.1°120.0°
C9C10C15C11131.7°120.0°
C9C10C15H10118.8°119.9°
C9C10C11H10118.6°119.9°
C9C10C15C14128.0°180.0°
C9C10C15H151112.0°60.0°
C9C10C15H15211.8°60.0°
C9C10C11C12116.1°180.0°
C9C10C11H1114.0°60.0°
C9C10C11H112125.7°60.0°
H91C9C10C1573.6°55.0°
H91C9C10C1162.2°175.0°
H91C9C10H10173.9°65.0°
H92C9C10C15168.3°65.0°
H92C9C10C1155.9°55.0°
H92C9C10H1055.8°175.0°
C15C10C11H10110.0°120.1°
C10C15C14H151120.0°120.0°
C10C15C14H152116.2°120.0°
C10C15H151H152116.7°120.0°
C10C15C14C1325.1°60.0°
C10C15C14H141145.1°60.0°
C10C15C14H14293.5°180.0°
C15C10C11C1215.3°60.0°
C15C10C11H111135.4°60.0°
C15C10C11H112102.9°180.0°
C11C10C15C143.8°60.0°
C11C10C15H151116.2°180.0°
C11C10C15H152120.0°60.0°
C10C11C12C1348.0°60.0°
C10C11C12H111120.0°120.0°
C10C11C12H112118.2°120.0°
C10C11C12H12172.0°60.0°
C10C11C12H122167.9°180.0°
C10C11H111H112118.3°120.0°
H10C10C15C14113.3°60.0°
H10C10C15H1516.7°59.9°
H10C10C15H152130.6°180.0°
H10C10C11C12125.4°60.1°
H10C10C11H111114.6°179.9°
H10C10C11H1127.1°59.9°
C14C15H151H152116.6°120.0°
C15C14C13H141120.0°120.0°
C15C14C13H142118.6°119.9°
C15C14H141H142118.7°120.0°
C15C14C13C1258.3°60.0°
C15C14C13H13161.6°180.0°
C15C14C13H132178.7°59.9°
H151C15C14C1394.9°180.0°
H151C15C14H14125.1°59.9°
H151C15C14H142146.4°60.0°
H152C15C14C13141.3°59.9°
H152C15C14H14198.7°180.0°
H152C15C14H14222.6°60.0°
C13C14H141H142118.7°120.0°
C14C13C12H131120.0°120.0°
C14C13C12H132120.4°120.0°
C14C13H131H132120.4°120.1°
C14C13C12C1170.9°60.0°
C14C13C12H12149.1°60.0°
C14C13C12H122169.1°180.0°
H141C14C13C12178.4°60.0°
H141C14C13H13158.4°60.0°
H141C14C13H13261.3°180.0°
H142C14C13C1260.3°180.0°
H142C14C13H131179.7°60.0°
H142C14C13H13260.1°60.0°
C12C13H131H132120.3°119.9°
C13C12C11H121120.0°120.0°
C13C12C11H122120.0°120.0°
C13C12H121H122120.0°120.0°
C13C12C11H111168.0°60.0°
C13C12C11H11270.2°180.0°
H131C13C12C1149.1°180.0°
H131C13C12H121169.1°60.0°
H131C13C12H12270.9°59.9°
H132C13C12C11168.7°60.0°
H132C13C12H12171.3°180.0°
H132C13C12H12248.7°60.0°
C11C12H121H122120.0°120.0°
C12C11H111H112118.4°120.0°
H121C12C11H11148.0°180.0°
H121C12C11H112169.8°60.0°
H122C12C11H11172.1°60.0°
H122C12C11H11249.7°60.0°

223790

PDB entries from 2024-08-14

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