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6S1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26C25doub1.38Å1.39ÅAromatic
C26C27sing1.38Å1.40ÅAromatic
C25C24sing1.38Å1.40ÅAromatic
C27C22doub1.39Å1.40ÅAromatic
C24C23doub1.38Å1.39ÅAromatic
C22C23sing1.39Å1.40ÅAromatic
C22C21sing1.48Å1.39Å
C21C20doub1.40Å1.40ÅAromatic
C21N6sing1.33Å1.34ÅAromatic
C20C19sing1.37Å1.39ÅAromatic
N6C18doub1.32Å1.34ÅAromatic
C19C17doub1.40Å1.34ÅAromatic
C18C17sing1.41Å1.32ÅAromatic
C18N2sing1.38Å1.33ÅAromatic
C3C4sing1.54Å1.53Å
C3C2sing1.54Å1.47Å
C17N5sing1.35Å1.34ÅAromatic
C4C1sing1.54Å1.52Å
C9C10doub1.38Å1.39ÅAromatic
C9C8sing1.39Å1.38ÅAromatic
C10C5sing1.38Å1.40ÅAromatic
N2C8sing1.40Å1.36Å
N2C11sing1.37Å1.35ÅAromatic
C2C1sing1.54Å1.51Å
N5C11doub1.31Å1.33ÅAromatic
C8C7doub1.39Å1.39ÅAromatic
C5C1sing1.51Å1.44Å
C5C6doub1.38Å1.37ÅAromatic
C7C6sing1.38Å1.37ÅAromatic
C1N1sing1.47Å1.46Å
C11C12sing1.48Å1.35Å
N3C13sing1.39Å1.33Å
C12C13doub1.40Å1.40ÅAromatic
C12C16sing1.40Å1.39ÅAromatic
C13N4sing1.32Å1.33ÅAromatic
C16C15doub1.38Å1.38ÅAromatic
N4C14doub1.32Å1.41ÅAromatic
C15C14sing1.38Å1.39ÅAromatic
C3H1sing1.09Å1.10Å
C3H2sing1.09Å1.10Å
C6H3sing1.08Å1.08Å
C14H4sing1.08Å1.08Å
C9H5sing1.08Å1.08Å
C4H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C7H8sing1.08Å1.08Å
C2H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
N1H11sing1.01Å1.00Å
N1H12sing1.01Å1.00Å
C10H14sing1.08Å1.08Å
C23H15sing1.08Å1.08Å
C24H16sing1.08Å1.08Å
C25H17sing1.08Å1.08Å
C26H18sing1.08Å1.08Å
C27H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C19H21sing1.08Å1.08Å
C16H22sing1.08Å1.08Å
C15H23sing1.08Å1.08Å
N3H24sing0.97Å1.00Å
N3H25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C25C26C27121.5°120.1°
C26C25C24118.7°120.3°
C26C25H17120.7°119.9°
C25C26H18119.3°119.9°
C26C27C22119.1°119.9°
C27C26H18119.2°119.9°
C26C27H19120.4°120.1°
C25C24C23120.8°120.1°
C25C24H16119.6°120.0°
C24C25H17120.7°119.8°
C27C22C23119.8°119.7°
C27C22C21122.0°120.1°
C22C27H19120.5°120.0°
C24C23C22120.1°119.9°
C24C23H15119.9°120.1°
C23C24H16119.6°119.9°
C23C22C21118.2°120.2°
C22C23H15120.0°120.0°
C22C21C20122.5°119.5°
C22C21N6118.8°119.4°
C20C21N6118.6°121.1°
C21C20C19118.1°119.6°
C21C20H20121.0°120.1°
C21N6C18121.4°121.3°
C20C19C17120.1°118.4°
C19C20H20121.0°120.2°
C20C19H21120.0°120.8°
N6C18C17121.4°120.4°
N6C18N2129.9°133.5°
C19C17C18120.4°119.1°
C19C17N5131.7°133.5°
C17C19H21120.0°120.8°
C17C18N2108.7°106.0°
C18C17N5108.0°107.4°
C18N2C8120.7°126.4°
C18N2C11107.3°107.3°
C4C3C287.4°87.1°
C3C4C190.0°87.0°
C4C3H1114.7°113.6°
C4C3H2114.7°113.6°
C3C4H6114.1°113.6°
C3C4H7114.1°113.6°
C3C2C192.8°87.1°
C2C3H1114.7°113.6°
C2C3H2114.7°113.6°
C3C2H9113.5°113.6°
C3C2H10113.5°113.7°
C17N5C11108.1°109.5°
C4C1C286.2°87.1°
C4C1C5114.3°113.6°
C4C1N1114.4°113.6°
C1C4H6114.1°113.6°
C1C4H7114.1°113.6°
C10C9C8120.2°119.9°
C9C10C5122.8°120.1°
C10C9H5119.9°120.0°
C9C10H14118.6°119.9°
C9C8N2124.4°120.0°
C9C8C7116.8°119.9°
C8C9H5119.9°120.1°
C10C5C1125.6°119.9°
C10C5C6115.7°120.2°
C5C10H14118.6°120.0°
C8N2C11131.3°126.3°
N2C8C7118.4°120.1°
N2C11N5107.9°109.7°
N2C11C12128.1°125.2°
C2C1C5118.9°113.6°
C2C1N1110.0°113.7°
C1C2H9113.5°113.6°
C1C2H10113.5°113.6°
N5C11C12124.0°125.1°
C8C7C6122.5°119.9°
C8C7H8118.7°120.0°
C1C5C6118.6°119.9°
C5C1N1111.1°112.8°
C5C6C7121.9°120.0°
C5C6H3119.0°120.0°
C7C6H3119.1°120.0°
C6C7H8118.7°120.0°
C1N1H11109.5°111.0°
C1N1H12109.5°111.0°
C11C12C13123.9°120.6°
C11C12C16117.7°120.6°
N3C13C12118.6°119.8°
N3C13N4119.7°119.8°
C13N3H24109.5°120.0°
C13N3H25109.5°120.0°
C13C12C16118.4°118.8°
C12C13N4121.6°120.4°
C12C16C15122.2°118.4°
C12C16H22118.9°120.8°
C13N4C14119.0°121.8°
C16C15C14117.1°119.5°
C15C16H22118.9°120.9°
C16C15H23121.4°120.2°
N4C14C15121.6°121.1°
N4C14H4119.2°119.4°
C15C14H4119.2°119.4°
C14C15H23121.5°120.2°
H1C3H2109.5°112.9°
H6C4H7109.5°113.0°
H9C2H10109.4°112.9°
H11N1H12109.5°111.0°
H24N3H25109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C25C26C27H18180.0°179.8°
C26C25C24H17180.0°180.0°
C25C26C27C220.2°0.5°
C26C25C24C231.2°0.1°
C26C25C24H16178.8°180.0°
C25C26C27H19179.8°180.0°
C27C26C25C240.4°0.2°
C26C27C22H19180.0°179.4°
C26C27C22C230.1°0.5°
C26C27C22C21178.8°179.8°
C27C26C25H17179.7°179.8°
C25C24C23H16180.0°179.9°
C25C24C23C221.5°0.1°
C25C24C23H15178.5°180.0°
C24C25C26H18179.6°180.0°
C27C22C23C240.9°0.2°
C27C22C23C21178.8°179.7°
C27C22C21C2028.8°0.3°
C27C22C21N6151.7°179.5°
C27C22C23H15179.1°179.7°
C22C27C26H18179.9°179.7°
C24C23C22H15180.0°179.9°
C24C23C22C21179.7°179.9°
C23C24C25H17178.8°180.0°
C23C22C21C20149.9°180.0°
C23C22C21N629.6°0.2°
C22C23C24H16178.5°180.0°
C23C22C27H19179.9°180.0°
C22C21C20N6179.5°179.7°
C22C21C20C19179.0°180.0°
C22C21N6C18177.8°179.8°
C21C22C23H150.3°0.0°
C21C22C27H191.2°0.3°
C22C21C20H201.0°0.3°
C21C20C19H20180.0°179.7°
C20C21N6C181.7°0.0°
C21C20C19C170.2°0.5°
C21C20C19H21179.8°180.0°
N6C21C20C190.5°0.3°
C21N6C18C172.7°0.0°
C21N6C18N2176.8°179.9°
N6C21C20H20179.4°180.0°
C20C19C17H21180.0°179.5°
C20C19C17C181.1°0.5°
C20C19C17N5179.6°179.8°
N6C18C17C192.3°0.3°
N6C18C17N2179.6°179.9°
N6C18C17N5178.2°180.0°
N6C18N2C86.4°0.1°
N6C18N2C11178.2°180.0°
C19C17C18N5179.4°179.7°
C19C17C18N2177.3°179.8°
C19C17N5C11178.1°179.7°
C17C19C20H20179.8°179.8°
C17C18N2C8174.1°180.0°
C17C18N2C112.3°0.0°
C18C17N5C111.2°0.0°
C18C17C19H21178.9°180.0°
N2C18C17N52.2°0.1°
C18N2C8C950.5°113.6°
C18N2C8C11169.6°179.9°
C18N2C11N51.5°0.0°
C18N2C8C7121.9°66.5°
C18N2C11C12179.2°179.9°
C4C3C2H1116.1°114.5°
C4C3C2H2116.0°114.6°
C3C4C1H6116.6°114.5°
C3C4C1H7116.5°114.5°
C4C3C2C114.5°25.4°
C3C4C1C5106.1°140.0°
C3C4C1N1124.2°89.2°
C4C3H1H2130.5°131.2°
C3C4H6H7129.3°131.3°
C4C3C2H9131.6°89.1°
C4C3C2H10102.6°140.0°
C3C2C1H9117.1°114.6°
C3C2C1H10117.1°114.6°
C3C2C1C5101.2°140.0°
C3C2C1N1129.1°89.1°
C2C3H1H2130.5°131.3°
C2C3C4H6102.2°139.9°
C2C3C4H7130.9°89.1°
C3C2H9H10127.9°131.4°
C17N5C11N20.2°0.0°
C17N5C11C12179.5°180.0°
N5C17C19H210.4°0.3°
C4C1C5C10109.6°28.8°
C4C1C2C5115.7°114.5°
C4C1C2N1114.6°114.5°
C4C1C5N1131.2°131.2°
C4C1C5C672.1°151.5°
C1C4C3H1101.7°140.0°
C1C4C3H2130.4°89.2°
C1C4H6H7129.2°131.2°
C4C1C2H9131.7°89.1°
C4C1C2H10102.5°140.0°
C4C1N1H11180.0°178.5°
C4C1N1H1260.0°54.5°
C10C9C8H5180.0°179.9°
C9C10C5H14180.0°179.9°
C10C9C8N2175.8°179.9°
C10C9C8C73.4°0.2°
C9C10C5C1178.5°179.9°
C9C10C5C60.1°0.2°
C8C9C10C51.9°0.0°
C9C8N2C7172.3°179.8°
C9C8N2C11140.0°66.4°
C9C8C7C63.3°0.2°
C9C8C7H8176.6°179.7°
C8C9C10H14178.1°179.9°
C10C5C1C210.0°68.7°
C10C5C1C6178.3°179.7°
C10C5C6C70.0°0.3°
C10C5C1N1119.2°159.9°
C10C5C6H3180.0°179.7°
C5C10C9H5178.1°179.9°
C8N2C11N5172.2°180.0°
N2C8C7C6176.2°180.0°
C8N2C11C128.6°0.0°
N2C8C9H54.2°0.1°
N2C8C7H83.7°0.1°
N2C11N5C12179.3°180.0°
C11N2C8C747.7°113.4°
N2C11C12C13139.0°132.2°
N2C11C12C1642.0°47.5°
C2C1C5N1129.2°131.3°
C2C1C5C6171.7°111.0°
C1C2C3H1101.5°139.9°
C1C2C3H2130.6°89.1°
C2C1C4H6102.6°139.9°
C2C1C4H7130.6°89.1°
C1C2H9H10127.9°131.2°
C2C1N1H1185.0°80.9°
C2C1N1H1235.0°43.0°
N5C11C12C1341.8°47.9°
N5C11C12C16137.2°132.4°
C8C7C6C51.7°0.1°
C8C7C6H8180.0°179.9°
C8C7C6H3178.4°180.0°
C7C8C9H5176.6°179.7°
C1C5C6C7178.5°180.0°
C1C5C6H31.6°0.0°
C5C1C4H6137.3°105.5°
C5C1C4H710.4°25.5°
C5C1C2H916.0°25.4°
C5C1C2H10141.7°105.4°
C5C1N1H1148.8°50.4°
C5C1N1H12168.8°174.3°
C1C5C10H141.5°0.0°
C5C6C7H3180.0°180.0°
C6C5C1N159.1°20.4°
C5C6C7H8178.3°180.0°
C6C5C10H14179.9°179.7°
N1C1C4H67.7°25.3°
N1C1C4H7119.2°156.3°
N1C1C2H9113.7°156.3°
N1C1C2H1012.0°25.5°
C1N1H11H12120.0°123.9°
C11C12C13N31.3°0.1°
C11C12C13C16179.0°179.7°
C11C12C13N4179.3°180.0°
C11C12C16C15178.6°180.0°
C11C12C16H221.4°0.0°
N3C13C12N4178.0°179.9°
N3C13C12C16179.8°179.8°
N3C13N4C14179.7°180.0°
C13N3H24H25120.0°180.0°
C13C12C16C150.4°0.3°
C12C13N4C142.3°0.1°
C13C12C16H22179.6°179.7°
C12C13N3H24178.1°174.4°
C12C13N3H2558.1°5.6°
C16C12C13N41.8°0.3°
C12C16C15H22180.0°180.0°
C12C16C15C141.9°0.0°
C12C16C15H23178.1°180.0°
C13N4C14C150.7°0.2°
C13N4C14H4179.3°180.0°
N4C13N3H240.0°5.5°
N4C13N3H25120.0°174.5°
C16C15C14N41.3°0.2°
C16C15C14H23180.0°180.0°
C16C15C14H4178.6°180.0°
N4C14C15H4180.0°179.8°
N4C14C15H23178.6°179.8°
C14C15C16H22178.1°179.9°
H1C3C4H6141.8°105.5°
H1C3C4H714.9°25.5°
H1C3C2H915.6°25.5°
H1C3C2H10141.3°105.5°
H2C3C4H613.9°25.4°
H2C3C4H7113.1°156.3°
H2C3C2H9112.3°156.4°
H2C3C2H1013.4°25.4°
H3C6C7H81.7°0.0°
H4C14C15H231.4°0.0°
H5C9C10H141.9°0.0°
H15C23C24H161.5°0.0°
H16C24C25H171.2°0.0°
H17C25C26H180.4°0.1°
H18C26C27H190.1°0.2°
H20C20C19H210.3°0.3°
H22C16C15H231.9°0.0°

224931

PDB entries from 2024-09-11

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