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YY3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13N2sing1.47Å1.47Å
N2C11sing1.47Å1.49Å
N2C12sing1.47Å1.48Å
C10C11sing1.53Å1.55Å
C10N1sing1.47Å1.50Å
C28N1sing1.47Å1.49Å
N1C2sing1.40Å1.41Å
C14O1sing1.43Å1.41Å
C3C2doub1.39Å1.39ÅAromatic
C3C4sing1.39Å1.40ÅAromatic
C2C1sing1.39Å1.42ÅAromatic
O1C4sing1.36Å1.39Å
C4C5doub1.39Å1.41ÅAromatic
C1Nsing1.40Å1.37Å
C1C6doub1.39Å1.42ÅAromatic
NC7sing1.35Å1.35Å
C7C8sing1.47Å1.54Å
C7Odoub1.22Å1.23Å
C5C6sing1.39Å1.40ÅAromatic
C5N3sing1.40Å1.42Å
C8C9doub1.33Å1.49Å
N3C15sing1.38Å1.40Å
C15N5doub1.32Å1.33ÅAromatic
C15N4sing1.33Å1.34ÅAromatic
C24C25doub1.37Å1.39ÅAromatic
C24C23sing1.39Å1.39ÅAromatic
N5C18sing1.33Å1.36ÅAromatic
N4C16doub1.32Å1.39ÅAromatic
C25C26sing1.39Å1.35ÅAromatic
C23C22doub1.38Å1.39ÅAromatic
C18C19sing1.48Å1.49Å
C18C17doub1.40Å1.40ÅAromatic
C26C19sing1.47Å1.35ÅAromatic
C26C21doub1.41Å1.34ÅAromatic
C16C17sing1.38Å1.38ÅAromatic
C19C20doub1.36Å1.34ÅAromatic
C22C21sing1.39Å1.39ÅAromatic
C21N6sing1.38Å1.33ÅAromatic
C20N6sing1.36Å1.33ÅAromatic
N6C27sing1.47Å1.47Å
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C12H5sing1.09Å1.10Å
C12H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C28H12sing1.09Å1.10Å
C28H13sing1.09Å1.10Å
C28H14sing1.09Å1.10Å
C3H15sing1.08Å1.08Å
C14H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
NH19sing0.97Å1.00Å
C8H20sing1.08Å1.08Å
C9H22sing1.08Å1.08Å
C9H23sing1.08Å1.08Å
C6H25sing1.08Å1.08Å
N3H26sing0.97Å1.00Å
C16H27sing1.08Å1.08Å
C17H28sing1.08Å1.08Å
C25H29sing1.08Å1.08Å
C24H30sing1.08Å1.08Å
C23H31sing1.08Å1.08Å
C22H32sing1.08Å1.08Å
C27H33sing1.09Å1.10Å
C27H34sing1.09Å1.10Å
C27H35sing1.09Å1.10Å
C20H36sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13N2C11101.5°111.0°
C13N2C12117.0°111.0°
N2C13H1109.5°109.5°
N2C13H2109.5°109.5°
N2C13H3109.5°109.5°
C11N2C12103.6°111.0°
N2C11C10111.8°109.5°
N2C11H8108.9°109.5°
N2C11H9108.9°109.5°
N2C12H5109.5°109.5°
N2C12H6109.4°109.5°
N2C12H7109.5°109.5°
C11C10N1105.7°109.5°
C10C11H8108.9°109.5°
C10C11H9108.9°109.5°
C11C10H10110.4°109.5°
C11C10H11110.4°109.5°
C10N1C28112.5°111.0°
C10N1C2111.6°111.0°
N1C10H10110.4°109.5°
N1C10H11110.4°109.5°
C28N1C2113.9°111.0°
N1C28H12109.5°109.5°
N1C28H13109.4°109.4°
N1C28H14109.5°109.5°
N1C2C3119.4°120.0°
N1C2C1118.2°120.0°
C14O1C4113.8°117.0°
O1C14H16109.5°109.4°
O1C14H17109.5°109.5°
O1C14H18109.5°109.5°
C2C3C4119.2°120.0°
C3C2C1122.3°120.0°
C2C3H15120.4°120.0°
C3C4O1121.3°119.9°
C3C4C5120.7°120.1°
C4C3H15120.4°120.0°
C2C1N122.6°120.0°
C2C1C6117.1°120.0°
O1C4C5118.0°120.0°
C4C5C6119.1°120.0°
C4C5N3116.2°120.0°
NC1C6120.1°120.0°
C1NC7124.0°120.0°
C1NH19118.0°120.0°
C1C6C5121.4°120.0°
C1C6H25119.3°120.0°
NC7C8120.2°120.0°
NC7O120.6°120.0°
C7NH19118.0°120.0°
C8C7O119.2°120.0°
C7C8C9123.9°120.0°
C7C8H20118.1°120.0°
C6C5N3124.6°120.1°
C5C6H25119.3°120.0°
C5N3C15128.5°120.0°
C5N3H26115.8°120.0°
C9C8H20118.0°120.0°
C8C9H22120.0°120.0°
C8C9H23120.0°120.0°
N3C15N5123.7°119.2°
N3C15N4116.5°119.1°
C15N3H26115.8°120.0°
N5C15N4119.8°121.7°
C15N5C18122.0°120.6°
C15N4C16121.1°120.9°
C25C24C23118.2°120.5°
C24C25C26121.9°119.8°
C24C25H29119.0°120.1°
C25C24H30120.9°119.7°
C24C23C22119.2°120.6°
C23C24H30120.9°119.8°
C24C23H31120.4°119.7°
N5C18C19120.2°120.5°
N5C18C17120.1°118.9°
N4C16C17119.8°119.3°
N4C16H27120.1°120.3°
C25C26C19132.4°134.0°
C25C26C21120.2°120.1°
C26C25H29119.0°120.1°
C23C22C21119.7°119.8°
C22C23H31120.4°119.7°
C23C22H32120.1°120.1°
C19C18C17119.7°120.5°
C18C19C26126.5°126.7°
C18C19C20125.7°126.7°
C18C17C16117.3°118.5°
C18C17H28121.3°120.8°
C19C26C21107.4°106.0°
C26C19C20107.8°106.6°
C26C21C22120.7°119.2°
C26C21N6108.1°107.4°
C17C16H27120.1°120.4°
C16C17H28121.4°120.7°
C19C20N6107.9°109.8°
C19C20H36126.0°125.1°
C22C21N6131.2°133.3°
C21C22H32120.1°120.1°
C21N6C20108.8°110.3°
C21N6C27124.9°124.9°
C20N6C27126.3°124.8°
N6C20H36126.1°125.1°
N6C27H33109.5°109.5°
N6C27H34109.5°109.5°
N6C27H35109.5°109.4°
H1C13H2109.4°109.5°
H1C13H3109.5°109.4°
H2C13H3109.5°109.5°
H5C12H6109.5°109.5°
H5C12H7109.5°109.4°
H6C12H7109.5°109.4°
H8C11H9109.4°109.4°
H10C10H11109.5°109.4°
H12C28H13109.5°109.5°
H12C28H14109.5°109.5°
H13C28H14109.4°109.4°
H16C14H17109.4°109.4°
H16C14H18109.4°109.5°
H17C14H18109.5°109.5°
H22C9H23120.0°120.0°
H33C27H34109.5°109.5°
H33C27H35109.4°109.5°
H34C27H35109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13N2C11C12121.7°124.0°
C13N2C11C10111.8°66.0°
N2C13H1H2120.0°120.1°
N2C13H1H3120.0°120.0°
N2C13H2H3120.0°120.0°
C13N2C12H5180.0°63.9°
C13N2C12H660.0°176.0°
C13N2C12H760.0°56.0°
C13N2C11H8127.8°173.9°
C13N2C11H98.5°54.0°
N2C11C10H8120.4°120.0°
N2C11C10H9120.4°120.0°
N2C11C10N192.3°180.0°
C11N2C13H1180.0°60.0°
C11N2C13H260.0°180.0°
C11N2C13H360.0°60.0°
C11N2C12H569.3°60.1°
C11N2C12H6170.7°60.0°
C11N2C12H750.7°180.0°
N2C11H8H9118.9°120.0°
N2C11C10H10148.3°60.0°
N2C11C10H1127.2°60.0°
C12N2C11C10126.4°170.0°
C12N2C13H168.1°64.0°
C12N2C13H2171.9°56.1°
C12N2C13H351.9°176.1°
N2C12H5H6120.0°120.1°
N2C12H5H7120.0°120.0°
N2C12H6H7120.0°120.0°
C12N2C11H86.1°50.0°
C12N2C11H9113.2°70.0°
C11C10N1H10119.4°120.0°
C11C10N1H11119.4°120.0°
C11C10N1C28129.7°66.0°
C11C10N1C2100.8°170.0°
C10C11H8H9118.9°120.0°
C11C10H10H11121.7°120.0°
C10N1C28C2128.2°123.9°
C10N1C2C372.6°60.0°
C10N1C2C1105.5°120.0°
N1C10C11H828.1°60.0°
N1C10C11H9147.4°60.0°
N1C10H10H11121.7°120.0°
C10N1C28H12180.0°60.0°
C10N1C28H1360.0°180.0°
C10N1C28H1460.0°60.0°
C28N1C2C356.1°63.9°
C28N1C2C1125.8°116.0°
C28N1C10H10110.9°173.9°
C28N1C10H1110.3°54.0°
N1C28H12H13120.0°119.9°
N1C28H12H14120.0°120.1°
N1C28H13H14120.0°120.0°
N1C2C3C1178.1°179.9°
N1C2C3C4179.8°179.9°
N1C2C1N3.6°0.1°
N1C2C1C6179.5°179.9°
C2N1C10H1018.6°50.0°
C2N1C10H11139.8°70.0°
C2N1C28H1251.8°176.0°
C2N1C28H1368.3°56.1°
C2N1C28H14171.8°63.9°
N1C2C3H150.2°0.3°
C14O1C4C319.6°0.0°
C14O1C4C5161.3°180.0°
O1C14H16H17120.0°119.9°
O1C14H16H18120.0°120.1°
O1C14H17H18120.0°120.1°
C2C3C4H15180.0°179.7°
C2C3C4O1179.6°180.0°
C2C3C4C50.6°0.0°
C3C2C1N178.3°180.0°
C3C2C1C62.4°0.0°
C4C3C2C12.1°0.0°
C3C4O1C5179.1°180.0°
C3C4C5C60.7°0.0°
C3C4C5N3178.5°180.0°
C2C1NC6175.8°180.0°
C2C1NC7151.8°145.2°
C2C1C6C51.1°0.0°
C1C2C3H15177.9°179.7°
C2C1NH1928.3°34.8°
C2C1C6H25178.9°180.0°
O1C4C5C6178.4°180.0°
O1C4C5N30.6°0.0°
O1C4C3H150.4°0.3°
C4O1C14H16180.0°59.9°
C4O1C14H1760.0°60.0°
C4O1C14H1860.0°180.0°
C4C5C6C10.4°0.0°
C4C5C6N3177.6°180.0°
C4C5N3C15167.1°155.1°
C5C4C3H15179.5°179.7°
C4C5C6H25179.6°180.0°
C4C5N3H2612.9°25.0°
C1NC7H19180.0°180.0°
C1NC7C8176.7°175.4°
C1NC7O3.9°4.7°
NC1C6C5177.1°180.0°
NC1C6H252.9°0.0°
C6C1NC732.4°34.8°
C1C6C5H25180.0°180.0°
C1C6C5N3178.0°180.0°
C6C1NH19147.5°145.2°
NC7C8O179.4°179.9°
NC7C8C9179.3°180.0°
NC7C8H200.7°0.0°
C7C8C9H20180.0°180.0°
C8C7NH193.3°4.6°
C7C8C9H22180.0°0.1°
C7C8C9H230.0°180.0°
OC7C8C90.0°0.0°
OC7NH19176.1°175.3°
OC7C8H20179.9°179.9°
C6C5N3C1515.3°24.9°
C6C5N3H26164.7°155.0°
C5N3C15H26180.0°179.9°
C5N3C15N510.8°174.0°
C5N3C15N4170.2°6.3°
N3C5C6H252.0°0.0°
C8C9H22H23180.0°179.9°
N3C15N5N4179.0°179.6°
N3C15N5C18179.0°179.9°
N3C15N4C16179.8°180.0°
N5C15N4C160.7°0.3°
C15N5C18C19179.8°180.0°
C15N5C18C170.4°0.0°
N5C15N3H26169.2°5.9°
N4C15N5C180.0°0.3°
C15N4C16C171.1°0.0°
N4C15N3H269.8°173.8°
C15N4C16H27179.0°180.0°
C25C24C23H30180.0°180.0°
C24C25C26H29180.0°180.0°
C25C24C23C220.5°0.0°
C24C25C26C19179.7°180.0°
C24C25C26C210.5°0.0°
C25C24C23H31179.5°179.9°
C23C24C25C260.0°0.0°
C24C23C22H31180.0°179.9°
C24C23C22C210.5°0.1°
C23C24C25H29179.9°179.9°
C24C23C22H32179.6°180.0°
N5C18C19C17179.7°180.0°
N5C18C19C2616.0°0.3°
N5C18C17C160.1°0.3°
N5C18C19C20164.1°180.0°
N5C18C17H28179.9°180.0°
N4C16C17C180.6°0.2°
N4C16C17H27180.0°180.0°
N4C16C17H28179.3°180.0°
C25C26C19C180.2°0.1°
C25C26C19C21179.9°179.9°
C25C26C19C20179.9°179.8°
C25C26C21C220.5°0.0°
C25C26C21N6179.9°180.0°
C26C25C24H30180.0°180.0°
C23C22C21C260.0°0.1°
C23C22C21H32180.0°179.9°
C23C22C21N6179.3°180.0°
C22C23C24H30179.5°179.9°
C18C19C26C20179.9°179.7°
C18C19C26C21179.7°180.0°
C19C18C17C16179.8°179.8°
C18C19C20N6179.7°179.8°
C19C18C17H280.2°0.0°
C18C19C20H360.3°0.0°
C17C18C19C26164.3°179.7°
C18C17C16H28180.0°179.8°
C17C18C19C2015.6°0.0°
C18C17C16H27179.4°179.8°
C19C26C21C22179.6°179.9°
C19C26C21N60.2°0.0°
C26C19C20N60.2°0.5°
C19C26C25H290.3°0.0°
C26C19C20H36179.8°179.7°
C21C26C19C200.3°0.3°
C26C21C22N6179.3°179.9°
C26C21N6C200.0°0.3°
C26C21N6C27179.8°180.0°
C21C26C25H29179.6°179.9°
C26C21C22H32179.9°180.0°
C19C20N6C210.1°0.5°
C19C20N6H36180.0°179.8°
C19C20N6C27179.7°179.8°
C22C21N6C20179.4°179.8°
C22C21N6C270.8°0.1°
C21C22C23H31179.5°180.0°
C21N6C20C27179.8°179.7°
N6C21C22H320.6°0.1°
C21N6C27H33180.0°90.0°
C21N6C27H3460.0°150.0°
C21N6C27H3560.0°30.0°
C21N6C20H36179.9°179.7°
C20N6C27H330.2°89.7°
C20N6C27H34119.8°30.4°
C20N6C27H35120.2°150.4°
N6C27H33H34120.0°120.0°
N6C27H33H35120.0°119.9°
N6C27H34H35120.0°119.9°
C27N6C20H360.3°0.0°
H1C13H2H3119.9°119.9°
H5C12H6H7120.0°119.9°
H8C11C10H1091.3°180.0°
H8C11C10H11147.5°60.0°
H9C11C10H1028.0°60.0°
H9C11C10H1193.2°180.0°
H12C28H13H14120.0°120.0°
H16C14H17H18120.0°120.0°
H20C8C9H220.0°180.0°
H20C8C9H23180.0°0.1°
H27C16C17H280.6°0.0°
H29C25C24H300.0°0.0°
H30C24C23H310.5°0.0°
H31C23C22H320.4°0.1°
H33C27H34H35120.0°120.1°

226262

PDB entries from 2024-10-16

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