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E2J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F32C29sing1.35Å1.35Å
C29C28doub1.39Å1.39ÅAromatic
C29C30sing1.39Å1.39ÅAromatic
C28C27sing1.38Å1.38ÅAromatic
C30C31doub1.38Å1.38ÅAromatic
C27C26doub1.39Å1.39ÅAromatic
C31C26sing1.39Å1.40ÅAromatic
C26C18sing1.48Å1.49Å
C18C19sing1.48Å1.49Å
C18C17doub1.34Å1.35Å
C16C17sing1.51Å1.52Å
C16C15sing1.53Å1.53Å
C24C19doub1.39Å1.40ÅAromatic
C24C23sing1.38Å1.38ÅAromatic
C19C20sing1.39Å1.40ÅAromatic
C17C33sing1.51Å1.51Å
C23C22doub1.39Å1.39ÅAromatic
C15N14sing1.47Å1.47Å
C20C21doub1.38Å1.38ÅAromatic
C22C21sing1.39Å1.39ÅAromatic
C22F25sing1.35Å1.35Å
C33C34sing1.53Å1.53Å
N14C34sing1.47Å1.47Å
N14C13sing1.47Å1.47Å
C13C12sing1.53Å1.53Å
C01C02sing1.51Å1.51Å
C12C03sing1.51Å1.51Å
C02C03doub1.38Å1.38Å
C02N11sing1.33Å1.32Å
C03C04sing1.40Å1.40Å
N11C10doub1.32Å1.30Å
C04O05doub1.22Å1.22Å
C04N06sing1.36Å1.37Å
C10N06sing1.36Å1.37Å
C10S09sing1.77Å1.78Å
N06C07sing1.37Å1.38Å
C07C08doub1.32Å1.33Å
S09C08sing1.77Å1.79Å
C12H1sing1.09Å1.10Å
C12H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C28H7sing1.08Å1.08Å
C31H8sing1.08Å1.08Å
C33H9sing1.09Å1.10Å
C33H10sing1.09Å1.10Å
C34H11sing1.09Å1.10Å
C34H12sing1.09Å1.10Å
C21H13sing1.08Å1.08Å
C01H14sing1.09Å1.10Å
C01H15sing1.09Å1.10Å
C01H16sing1.09Å1.10Å
C07H18sing1.08Å1.08Å
C08H19sing1.08Å1.08Å
C16H21sing1.09Å1.10Å
C16H22sing1.09Å1.10Å
C20H23sing1.08Å1.08Å
C23H24sing1.08Å1.08Å
C24H25sing1.08Å1.08Å
C27H26sing1.08Å1.08Å
C30H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F32C29C28120.0°119.9°
F32C29C30120.2°119.9°
C28C29C30119.8°120.2°
C29C28C27120.2°120.1°
C29C28H7119.9°119.9°
C29C30C31120.2°120.1°
C29C30H27119.9°119.9°
C28C27C26120.4°119.9°
C27C28H7119.9°120.0°
C28C27H26119.8°120.0°
C30C31C26120.3°119.9°
C30C31H8119.9°120.0°
C31C30H27119.9°120.0°
C27C26C31119.0°119.8°
C27C26C18118.9°120.1°
C26C27H26119.8°120.1°
C31C26C18122.0°120.1°
C26C31H8119.8°120.0°
C26C18C19117.0°120.0°
C26C18C17124.8°120.0°
C19C18C17118.3°120.0°
C18C19C24119.6°120.1°
C18C19C20120.8°120.1°
C18C17C16124.6°121.1°
C18C17C33119.9°121.1°
C17C16C15107.7°108.3°
C16C17C33115.4°117.8°
C17C16H21109.9°109.7°
C17C16H22109.9°109.7°
C16C15N14109.3°109.4°
C16C15H5109.5°109.5°
C16C15H6109.5°109.5°
C15C16H21109.9°109.7°
C15C16H22109.9°109.7°
C19C24C23120.2°119.9°
C24C19C20119.6°119.8°
C19C24H25119.9°120.1°
C24C23C22119.9°120.1°
C24C23H24120.0°119.9°
C23C24H25119.9°120.0°
C19C20C21119.8°119.9°
C19C20H23120.1°120.1°
C17C33C34107.5°108.3°
C17C33H9110.0°109.7°
C17C33H10110.0°109.7°
C23C22C21120.2°120.2°
C23C22F25119.6°119.9°
C22C23H24120.0°120.0°
C15N14C34110.2°111.6°
C15N14C13109.8°111.0°
N14C15H5109.5°109.5°
N14C15H6109.5°109.5°
C20C21C22120.2°120.1°
C20C21H13119.9°119.9°
C21C20H23120.1°120.0°
C21C22F25120.1°119.9°
C22C21H13119.9°120.0°
C33C34N14107.8°109.4°
C34C33H9110.0°109.8°
C34C33H10110.0°109.8°
C33C34H11109.9°109.5°
C33C34H12109.9°109.5°
C34N14C13108.9°111.0°
N14C34H11109.9°109.5°
N14C34H12109.9°109.5°
N14C13C12109.9°109.4°
N14C13H3109.4°109.5°
N14C13H4109.4°109.4°
C13C12C03107.3°109.4°
C13C12H1110.0°109.5°
C13C12H2110.0°109.5°
C12C13H3109.4°109.5°
C12C13H4109.4°109.5°
C01C02C03122.1°120.4°
C01C02N11119.2°120.4°
C02C01H14109.5°109.5°
C02C01H15109.5°109.5°
C02C01H16109.5°109.5°
C12C03C02120.6°120.3°
C12C03C04119.4°120.3°
C03C12H1110.0°109.5°
C03C12H2110.0°109.4°
C03C02N11118.7°119.2°
C02C03C04119.9°119.3°
C02N11C10121.3°121.5°
C03C04O05119.7°120.1°
C03C04N06119.6°119.8°
N11C10N06124.2°122.7°
N11C10S09132.3°131.4°
O05C04N06120.7°120.1°
C04N06C10116.3°117.6°
C04N06C07127.5°127.0°
N06C10S09103.6°105.9°
C10N06C07116.2°115.3°
C10S09C0897.1°94.3°
N06C07C08121.1°119.0°
N06C07H18119.4°120.5°
C07C08S09102.0°105.5°
C08C07H18119.5°120.5°
C07C08H19129.0°127.3°
S09C08H19129.0°127.2°
H1C12H2109.5°109.5°
H3C13H4109.5°109.5°
H5C15H6109.5°109.4°
H9C33H10109.5°109.7°
H11C34H12109.5°109.5°
H14C01H15109.4°109.5°
H14C01H16109.5°109.5°
H15C01H16109.5°109.4°
H21C16H22109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F32C29C28C30179.9°179.7°
F32C29C28C27179.9°180.0°
F32C29C30C31179.8°180.0°
F32C29C28H70.1°0.0°
F32C29C30H270.2°0.3°
C29C28C27H7180.0°180.0°
C28C29C30C310.1°0.3°
C29C28C27C260.4°0.1°
C29C28C27H26179.6°180.0°
C28C29C30H27179.9°180.0°
C30C29C28C270.2°0.2°
C29C30C31H27180.0°179.7°
C29C30C31C260.9°0.0°
C30C29C28H7179.8°179.8°
C29C30C31H8179.1°180.0°
C28C27C26H26180.0°179.9°
C28C27C26C311.2°0.4°
C28C27C26C18178.8°180.0°
C30C31C26C271.5°0.3°
C30C31C26H8180.0°180.0°
C30C31C26C18179.0°179.9°
C27C26C31C18177.5°179.6°
C27C26C18C1955.4°115.3°
C27C26C18C17124.9°64.6°
C26C27C28H7179.6°179.9°
C27C26C31H8178.5°179.6°
C31C26C18C19122.1°65.1°
C31C26C18C1757.5°115.0°
C31C26C27H26178.8°179.7°
C26C31C30H27179.1°179.7°
C26C18C19C17179.6°179.9°
C26C18C17C163.2°179.9°
C26C18C19C2489.6°114.8°
C26C18C19C2089.7°64.9°
C26C18C17C33173.1°0.0°
C18C26C31H81.0°0.0°
C18C26C27H261.2°0.1°
C19C18C17C16177.2°0.0°
C18C19C24C20179.3°179.7°
C18C19C24C23179.9°179.7°
C19C18C17C336.6°179.9°
C18C19C20C21180.0°180.0°
C18C19C20H230.1°0.1°
C18C19C24H250.1°0.3°
C18C17C16C33176.4°180.0°
C18C17C16C15124.4°131.0°
C17C18C19C2490.7°65.3°
C17C18C19C2090.0°115.0°
C18C17C33C34122.4°131.0°
C18C17C33H9118.0°11.2°
C18C17C33H102.7°109.3°
C18C17C16H214.6°109.3°
C18C17C16H22115.9°11.3°
C17C16C15H21119.8°119.7°
C17C16C15H22119.7°119.7°
C17C16C15N1455.3°53.8°
C16C17C33C3454.2°49.0°
C17C16C15H564.7°173.8°
C17C16C15H6175.3°66.2°
C16C17C33H965.4°168.7°
C16C17C33H10173.9°70.7°
C17C16H21H22120.8°120.6°
C15C16C17C3352.1°49.0°
C16C15N14H5120.0°120.0°
C16C15N14H6119.9°120.0°
C16C15N14C3466.2°65.4°
C16C15N14C13173.8°170.3°
C16C15H5H6120.0°120.1°
C15C16H21H22120.8°120.6°
C19C24C23H25180.0°180.0°
C19C24C23C220.3°0.5°
C24C19C20C210.6°0.3°
C24C19C20H23179.4°179.8°
C19C24C23H24179.7°179.7°
C23C24C19C200.6°0.0°
C24C23C22H24180.0°179.2°
C24C23C22C210.1°0.8°
C24C23C22F25180.0°179.7°
C19C20C21H23180.0°179.9°
C19C20C21C220.4°0.0°
C19C20C21H13179.6°180.0°
C20C19C24H25179.4°180.0°
C17C33C34H9119.7°119.7°
C17C33C34H10119.7°119.7°
C17C33C34N1459.0°53.8°
C17C33H9H10120.9°120.5°
C17C33C34H11178.8°173.7°
C17C33C34H1260.7°66.2°
C33C17C16H21171.8°70.7°
C33C17C16H2267.6°168.7°
C23C22C21C200.1°0.5°
C23C22C21F25179.9°179.4°
C23C22C21H13179.9°179.4°
C22C23C24H25179.7°179.5°
C15N14C34C3367.8°65.4°
C15N14C34C13120.5°124.4°
C15N14C13C12157.5°170.0°
C15N14C13H382.4°50.0°
C15N14C13H437.5°70.0°
N14C15H5H6120.1°120.0°
C15N14C34H11172.4°174.7°
C15N14C34H1251.9°54.6°
N14C15C16H21175.0°65.9°
N14C15C16H2264.4°173.5°
C20C21C22H13180.0°180.0°
C20C21C22F25180.0°180.0°
C22C21C20H23179.6°179.9°
C21C22C23H24179.9°180.0°
F25C22C21H130.0°0.0°
F25C22C23H240.0°0.6°
C33C34N14H11119.7°120.0°
C33C34N14H12119.7°120.0°
C33C34N14C13171.7°170.3°
C34C33H9H10120.9°120.6°
C33C34H11H12120.7°120.1°
C34N14C13C1281.7°65.3°
C34N14C13H338.3°174.7°
C34N14C13H4158.2°54.7°
C34N14C15H553.7°174.6°
C34N14C15H6173.8°54.6°
N14C34C33H960.6°173.5°
N14C34C33H10178.7°65.9°
N14C34H11H12120.8°120.0°
N14C13C12H3120.0°120.0°
N14C13C12H4120.0°120.0°
N14C13C12C03178.3°180.0°
N14C13C12H158.7°60.0°
N14C13C12H262.0°60.0°
N14C13H3H4119.8°120.0°
C13N14C15H566.2°50.2°
C13N14C15H653.8°69.7°
C13N14C34H1151.9°50.3°
C13N14C34H1268.6°69.7°
C13C12C03H1119.7°120.1°
C13C12C03H2119.7°120.0°
C13C12C03C0296.2°95.0°
C13C12C03C0483.1°85.0°
C13C12H1H2121.0°120.1°
C12C13H3H4119.8°120.1°
C01C02C03C120.8°0.0°
C01C02C03N11179.7°179.9°
C01C02C03C04180.0°180.0°
C01C02N11C10179.8°180.0°
C02C01H14H15120.0°120.0°
C02C01H14H16120.0°120.0°
C02C01H15H16120.0°120.0°
C12C03C02C04179.3°180.0°
C12C03C02N11179.6°180.0°
C12C03C04O050.5°0.0°
C12C03C04N06179.6°180.0°
C03C12H1H2121.0°119.9°
C03C12C13H361.6°60.1°
C03C12C13H458.3°60.0°
C03C02N11C100.1°0.1°
C02C03C04O05179.8°180.0°
C02C03C04N060.4°0.0°
C02C03C12H123.5°25.0°
C02C03C12H2144.1°145.0°
C03C02C01H14179.7°90.0°
C03C02C01H1560.3°150.0°
C03C02C01H1659.7°30.0°
N11C02C03C040.3°0.0°
C02N11C10N060.1°0.1°
C02N11C10S09180.0°179.7°
N11C02C01H140.0°90.0°
N11C02C01H15120.0°30.0°
N11C02C01H16120.0°149.9°
C03C04O05N06179.8°179.9°
C03C04N06C100.2°0.0°
C03C04N06C07179.8°179.8°
C04C03C12H1157.3°155.0°
C04C03C12H236.6°35.0°
N11C10N06C040.0°0.1°
N11C10N06S09179.9°179.7°
N11C10N06C07179.9°179.7°
N11C10S09C08179.9°179.7°
O05C04N06C10180.0°179.9°
O05C04N06C070.0°0.3°
C04N06C10C07180.0°179.8°
C04N06C10S09179.9°179.8°
C04N06C07C08179.9°179.7°
C04N06C07H180.1°0.3°
C10N06C07C080.0°0.1°
N06C10S09C080.0°0.0°
C10N06C07H18180.0°180.0°
S09C10N06C070.0°0.0°
C10S09C08C070.0°0.0°
C10S09C08H19180.0°179.9°
N06C07C08H18180.0°180.0°
N06C07C08S090.0°0.0°
N06C07C08H19180.0°179.9°
C07C08S09H19180.0°179.9°
S09C08C07H18180.0°180.0°
H1C12C13H3178.8°59.9°
H1C12C13H461.3°180.0°
H2C12C13H358.1°180.0°
H2C12C13H4178.0°59.9°
H5C15C16H2155.1°54.1°
H5C15C16H22175.6°66.5°
H6C15C16H2165.0°174.1°
H6C15C16H2255.6°53.5°
H7C28C27H260.4°0.0°
H8C31C30H270.9°0.3°
H9C33C34H1159.1°66.6°
H9C33C34H12179.6°53.5°
H10C33C34H1161.6°54.0°
H10C33C34H1259.0°174.1°
H13C21C20H230.4°0.1°
H14C01H15H16120.0°120.0°
H18C07C08H190.0°0.1°
H24C23C24H250.3°0.3°

225399

PDB entries from 2024-09-25

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