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URW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C24N5sing1.46Å1.47Å
O3C23doub1.21Å1.22Å
N5C23sing1.35Å1.38Å
C23C21sing1.51Å1.52Å
C25O4sing1.43Å1.42Å
C25Fsing1.40Å1.36Å
C25F1sing1.40Å1.36Å
O4C20sing1.36Å1.36Å
C22C21sing1.53Å1.52Å
C21N4sing1.46Å1.49Å
C14N4sing1.46Å1.48Å
C14C19sing1.51Å1.52Å
C20C19doub1.39Å1.38ÅAromatic
C20C18sing1.39Å1.39ÅAromatic
N4C13sing1.35Å1.37Å
C19C17sing1.38Å1.39ÅAromatic
C18C16doub1.38Å1.37ÅAromatic
O2C13doub1.22Å1.20Å
C13C11sing1.47Å1.46Å
C11C12doub1.38Å1.37ÅAromatic
C11N2sing1.37Å1.34ÅAromatic
C17C15doub1.38Å1.38ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C12N3sing1.33Å1.34ÅAromatic
N2C10sing1.36Å1.35ÅAromatic
N1C8sing1.35Å1.38Å
N3C10doub1.32Å1.34ÅAromatic
C10C9sing1.48Å1.49Å
C6C1doub1.38Å1.51ÅAromatic
C6Nsing1.36Å1.48ÅAromatic
CC1sing1.41Å1.38ÅAromatic
CC2doub1.38Å1.38ÅAromatic
C8C2sing1.47Å1.46Å
C8Odoub1.22Å1.20Å
C1C3sing1.48Å1.35ÅAromatic
C9Nsing1.35Å1.38Å
C9O1doub1.21Å1.23Å
C2C4sing1.41Å1.38ÅAromatic
NC7sing1.36Å1.49ÅAromatic
C3C7doub1.36Å1.48ÅAromatic
C3C5sing1.46Å1.38ÅAromatic
C4C5doub1.35Å1.38ÅAromatic
C25H1sing1.09Å1.10Å
C18H2sing1.08Å1.08Å
C16H3sing1.08Å1.08Å
C17H4sing1.08Å1.08Å
C15H5sing1.08Å1.08Å
C14H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
N5H9sing0.97Å1.00Å
C24H10sing1.09Å1.10Å
C24H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C22H15sing1.09Å1.10Å
N2H16sing0.97Å1.00Å
C12H17sing1.08Å1.08Å
C6H19sing1.08Å1.08Å
C7H20sing1.08Å1.08Å
C5H21sing1.08Å1.08Å
C4H22sing1.08Å1.08Å
CH23sing1.08Å1.08Å
N1H24sing0.97Å1.00Å
N1H25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C24N5C23120.4°120.0°
C24N5H9119.8°120.0°
N5C24H10109.5°109.5°
N5C24H11109.5°109.5°
N5C24H12109.5°109.4°
O3C23N5119.9°120.0°
O3C23C21120.5°120.0°
N5C23C21119.6°120.0°
C23N5H9119.8°120.0°
C23C21C22108.1°109.5°
C23C21N4108.6°109.5°
C23C21H8109.1°109.4°
O4C25F108.3°109.5°
O4C25F1110.2°109.5°
C25O4C20118.9°117.0°
O4C25H1109.0°109.5°
FC25F1109.5°109.5°
FC25H1110.0°109.5°
F1C25H1109.9°109.5°
O4C20C19120.9°120.1°
O4C20C18119.5°120.0°
C22C21N4112.3°109.5°
C22C21H8109.1°109.5°
C21C22H13109.5°109.5°
C21C22H14109.5°109.5°
C21C22H15109.5°109.4°
C21N4C14122.2°120.0°
C21N4C13114.6°120.0°
N4C21H8109.6°109.5°
N4C14C19115.2°109.5°
C14N4C13123.2°120.0°
N4C14H6108.0°109.5°
N4C14H7108.0°109.5°
C14C19C20121.0°120.0°
C14C19C17119.6°120.0°
C19C14H6108.0°109.4°
C19C14H7108.0°109.5°
C19C20C18119.7°119.9°
C20C19C17119.3°120.0°
C20C18C16121.0°119.9°
C20C18H2119.5°120.1°
N4C13O2116.6°120.0°
N4C13C11123.5°120.0°
C19C17C15120.4°120.1°
C19C17H4119.8°120.0°
C18C16C15119.2°120.0°
C16C18H2119.5°120.0°
C18C16H3120.4°120.0°
O2C13C11120.0°120.0°
C13C11C12125.0°126.8°
C13C11N2124.3°126.8°
C12C11N2110.8°106.5°
C11C12N3106.2°107.9°
C11C12H17126.9°126.0°
C11N2C10104.5°107.0°
C11N2H16127.7°126.5°
C17C15C16120.4°120.1°
C15C17H4119.8°119.9°
C17C15H5119.8°120.0°
C15C16H3120.4°119.9°
C16C15H5119.8°119.9°
C12N3C10107.5°109.6°
N3C12H17126.9°126.1°
N2C10N3111.0°109.0°
N2C10C9127.0°125.5°
C10N2H16127.7°126.5°
N1C8C2121.1°120.0°
N1C8O120.2°120.0°
C8N1H24120.0°120.0°
C8N1H25120.0°120.0°
N3C10C9121.9°125.5°
C10C9N120.6°120.0°
C10C9O1119.7°120.0°
C1C6N101.1°108.3°
C6C1C126.3°135.3°
C6C1C3112.3°106.0°
C1C6H19129.5°125.9°
C6NC9126.2°124.7°
C6NC7112.3°110.7°
NC6H19129.4°125.8°
C1CC2117.9°119.8°
CC1C3121.5°118.7°
C1CH23121.1°120.0°
CC2C8120.1°119.0°
CC2C4120.8°122.0°
C2CH23121.1°120.1°
C2C8O118.7°120.0°
C8C2C4119.0°119.0°
C1C3C7111.7°106.3°
C1C3C5121.6°118.6°
NC9O1119.7°120.0°
C9NC7121.4°124.7°
C2C4C5120.6°121.6°
C2C4H22119.7°119.1°
NC7C3102.2°108.8°
NC7H20128.9°125.6°
C7C3C5126.7°135.2°
C3C7H20128.9°125.6°
C3C5C4117.6°119.2°
C3C5H21121.2°120.4°
C4C5H21121.2°120.3°
C5C4H22119.7°119.2°
H6C14H7109.4°109.5°
H10C24H11109.5°109.5°
H10C24H12109.5°109.5°
H11C24H12109.5°109.5°
H13C22H14109.5°109.5°
H13C22H15109.4°109.5°
H14C22H15109.4°109.5°
H24N1H25120.0°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C24N5C23O31.4°0.1°
C24N5C23H9180.0°179.9°
C24N5C23C21178.0°180.0°
N5C24H10H11120.0°120.1°
N5C24H10H12120.0°119.9°
N5C24H11H12120.0°119.9°
O3C23N5C21179.4°180.0°
O3C23C21C2262.5°100.0°
O3C23C21N459.6°20.0°
O3C23C21H8179.0°140.0°
O3C23N5H9178.6°180.0°
N5C23C21C22118.1°80.0°
N5C23C21N4119.8°160.0°
N5C23C21H80.4°40.0°
C23N5C24H10180.0°180.0°
C23N5C24H1160.0°59.9°
C23N5C24H1260.0°60.0°
C23C21C22N4119.8°120.0°
C23C21C22H8118.6°120.0°
C23C21N4H8119.1°120.0°
C23C21N4C14102.4°109.5°
C23C21N4C1376.5°70.6°
C21C23N5H92.0°0.0°
C23C21C22H13180.0°175.3°
C23C21C22H1460.0°55.3°
C23C21C22H1560.0°64.7°
O4C25FF1120.2°120.0°
O4C25FH1119.0°120.0°
O4C25F1H1120.1°120.0°
C25O4C20C1993.8°175.3°
C25O4C20C1885.4°4.5°
FC25F1H1120.9°120.0°
FC25O4C2064.3°60.0°
F1C25O4C2055.5°60.0°
O4C20C19C142.0°0.0°
O4C20C19C18179.2°179.8°
O4C20C19C17179.3°180.0°
O4C20C18C16179.9°180.0°
C20O4C25H1176.1°180.0°
O4C20C18H20.1°0.0°
C22C21N4H8121.4°120.0°
C22C21N4C1417.0°10.6°
C22C21N4C13164.1°169.4°
C21C22H13H14120.0°120.0°
C21C22H13H15120.0°120.0°
C21C22H14H15120.0°119.9°
C21N4C14C13178.8°180.0°
C21N4C14C1970.5°93.4°
C21N4C13O28.9°175.2°
C21N4C13C11173.0°4.8°
C21N4C14H650.3°26.5°
C21N4C14H7168.6°146.6°
N4C21C22H1360.2°64.7°
N4C21C22H14179.7°175.3°
N4C21C22H1559.8°55.3°
N4C14C19H6120.9°120.0°
N4C14C19H7120.8°120.0°
N4C14C19C20142.7°84.4°
N4C14C19C1734.6°95.6°
C14N4C13O2170.0°4.8°
C14N4C13C118.1°175.2°
N4C14H6H7117.4°120.0°
C14N4C21H8138.4°130.6°
C14C19C20C17177.3°180.0°
C14C19C20C18178.8°179.8°
C19C14N4C13110.6°86.6°
C14C19C17C15178.7°180.0°
C14C19C17H41.3°0.0°
C19C14H6H7117.4°120.0°
C19C20C18C160.8°0.2°
C20C19C17C151.4°0.1°
C19C20C18H2179.2°179.8°
C20C19C17H4178.6°180.0°
C20C19C14H621.8°155.6°
C20C19C14H796.5°35.5°
C18C20C19C171.5°0.2°
C20C18C16H2180.0°180.0°
C20C18C16C150.2°0.1°
C20C18C16H3179.8°180.0°
N4C13O2C11178.2°180.0°
N4C13C11C12151.1°172.4°
N4C13C11N227.6°7.8°
C13N4C14H6128.5°153.4°
C13N4C14H710.2°33.4°
C13N4C21H842.7°49.4°
C19C17C15H4180.0°180.0°
C19C17C15C160.4°0.3°
C19C17C15H5179.6°180.0°
C17C19C14H6155.4°24.4°
C17C19C14H786.3°144.4°
C18C16C15C170.4°0.3°
C18C16C15H3180.0°179.9°
C18C16C15H5179.6°180.0°
O2C13C11C1227.0°7.6°
O2C13C11N2154.3°172.2°
C13C11C12N2178.9°179.8°
C13C11C12N3179.3°180.0°
C13C11N2C10179.4°180.0°
C13C11N2H160.6°0.0°
C13C11C12H170.7°0.0°
C11C12N3H17180.0°180.0°
C12C11N2C100.5°0.2°
C11C12N3C100.1°0.2°
C12C11N2H16179.5°179.8°
N2C11C12N30.4°0.3°
C11N2C10H16180.0°180.0°
C11N2C10N30.4°0.1°
C11N2C10C9178.5°180.0°
N2C11C12H17179.6°179.8°
C17C15C16H5180.0°179.7°
C17C15C16H3179.6°179.7°
C15C16C18H2179.8°179.9°
C16C15C17H4179.6°179.7°
C12N3C10N20.2°0.0°
C12N3C10C9178.8°179.9°
N2C10N3C9178.9°179.9°
N2C10C9N0.9°180.0°
N2C10C9O1177.0°0.1°
N1C8C2C1.1°179.9°
N1C8C2O178.3°179.9°
N1C8C2C4177.9°0.0°
C8N1H24H25180.0°179.9°
N3C10C9N179.6°0.1°
N3C10C9O11.7°179.8°
N3C10N2H16179.6°179.9°
C10N3C12H17179.9°179.8°
C10C9NC64.1°179.7°
C10C9NO1177.9°179.9°
C10C9NC7174.1°0.1°
C9C10N2H161.5°0.0°
C1C6NH19180.0°179.9°
C6C1CC3179.3°179.9°
C6C1CC2179.8°179.9°
C1C6NC9175.6°180.0°
C1C6NC76.0°0.3°
C6C1C3C70.2°0.2°
C6C1C3C5180.0°180.0°
C6C1CH230.2°0.0°
NC6C1C175.6°180.0°
NC6C1C33.8°0.0°
C6NC9C7178.2°179.8°
C6NC9O1178.0°0.2°
C6NC7C36.0°0.4°
C6NC7H20174.0°179.7°
C1CC2H23180.0°180.0°
C1CC2C8179.1°180.0°
C1CC2C40.2°0.1°
CC1C3C7179.2°179.7°
CC1C3C50.6°0.0°
CC1C6H194.5°0.1°
CC2C8C4178.9°179.9°
CC2C8O179.4°0.0°
C2CC1C30.5°0.0°
CC2C4C50.0°0.1°
CC2C4H22180.0°179.9°
C8C2C4C5178.9°180.0°
C8C2C4H221.1°0.0°
C8C2CH230.9°0.0°
C2C8N1H24178.3°0.1°
C2C8N1H251.7°180.0°
OC8C2C40.4°179.9°
OC8N1H240.0°180.0°
OC8N1H25180.0°0.1°
C1C3C7N3.4°0.4°
C1C3C7C5179.8°179.7°
C1C3C5C40.4°0.0°
C3C1C6H19176.2°179.9°
C1C3C7H20176.5°179.7°
C1C3C5H21179.6°180.0°
C3C1CH23179.5°180.0°
C9NC7C3175.6°179.8°
C9NC6H194.4°0.0°
C9NC7H204.4°0.1°
O1C9NC73.8°180.0°
C2C4C5C30.1°0.1°
C2C4C5H22180.0°179.9°
C2C4C5H21179.9°179.9°
C4C2CH23179.8°179.9°
NC7C3H20180.0°179.9°
NC7C3C5176.3°179.9°
C7NC6H19174.0°179.8°
C7C3C5C4179.4°179.7°
C7C3C5H210.7°0.3°
C3C5C4H21180.0°180.0°
C5C3C7H203.7°0.0°
C3C5C4H22179.9°180.0°
H2C18C16H30.2°0.0°
H3C16C15H50.4°0.1°
H4C17C15H50.4°0.1°
H8C21C22H1361.4°55.3°
H8C21C22H1458.6°64.7°
H8C21C22H15178.5°175.3°
H9N5C24H100.0°0.1°
H9N5C24H11120.0°120.0°
H9N5C24H12120.0°120.0°
H10C24H11H12120.0°120.0°
H13C22H14H15119.9°120.1°
H21C5C4H220.1°0.0°

222415

PDB entries from 2024-07-10

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