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9YQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5Nsing1.47Å1.47Å
CC1sing1.51Å1.51Å
O2C27doub1.22Å1.22Å
C29C28doub1.38Å1.38ÅAromatic
C29C1sing1.39Å1.39ÅAromatic
C28C4sing1.39Å1.40ÅAromatic
C1C2doub1.38Å1.39ÅAromatic
NC4sing1.39Å1.43Å
NC6sing1.39Å1.41Å
C4C3doub1.40Å1.41ÅAromatic
C2C3sing1.40Å1.40ÅAromatic
C3C27sing1.47Å1.50Å
C27N6sing1.33Å1.38Å
N6C26sing1.46Å1.46Å
N6C25sing1.39Å1.43Å
C6C25doub1.40Å1.42ÅAromatic
C6N1sing1.33Å1.34ÅAromatic
C25C24sing1.39Å1.39ÅAromatic
N1C7doub1.33Å1.34ÅAromatic
C20C21doub1.38Å1.38ÅAromatic
C20C16sing1.39Å1.39ÅAromatic
C18C19sing1.53Å1.53Å
C18C17sing1.51Å1.51Å
C21C13sing1.40Å1.39ÅAromatic
C22C23doub1.38Å1.38ÅAromatic
C22C11sing1.39Å1.39ÅAromatic
C23C8sing1.39Å1.39ÅAromatic
N4C16sing1.39Å1.42Å
N4C17sing1.35Å1.36Å
C16C15doub1.39Å1.39ÅAromatic
N3C11sing1.40Å1.42Å
N3C12sing1.35Å1.36Å
C17Odoub1.21Å1.23Å
C13C12sing1.48Å1.50Å
C13C14doub1.40Å1.39ÅAromatic
C24N5doub1.33Å1.34ÅAromatic
C11C10doub1.39Å1.39ÅAromatic
C7N5sing1.32Å1.34ÅAromatic
C7N2sing1.39Å1.37Å
C12O1doub1.22Å1.23Å
C8N2sing1.40Å1.43Å
C8C9doub1.39Å1.39ÅAromatic
C15C14sing1.38Å1.38ÅAromatic
C10C9sing1.38Å1.39ÅAromatic
C5H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
N2H4sing0.97Å1.00Å
C9H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
N3H7sing0.97Å1.00Å
C14H8sing1.08Å1.08Å
C15H9sing1.08Å1.08Å
N4H10sing0.97Å1.00Å
C2H11sing1.08Å1.08Å
C26H12sing1.09Å1.10Å
C26H13sing1.09Å1.10Å
C26H14sing1.09Å1.10Å
C28H15sing1.08Å1.08Å
C29H16sing1.08Å1.08Å
CH17sing1.09Å1.10Å
CH18sing1.09Å1.10Å
CH19sing1.09Å1.10Å
C24H20sing1.08Å1.08Å
C23H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C21H23sing1.08Å1.08Å
C20H24sing1.08Å1.08Å
C18H25sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
C19H27sing1.09Å1.10Å
C19H28sing1.09Å1.10Å
C19H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5NC4119.1°120.5°
C5NC6118.4°120.5°
NC5H1109.5°109.4°
NC5H2109.5°109.4°
NC5H3109.5°109.5°
CC1C29120.9°119.8°
CC1C2120.9°119.8°
C1CH17109.5°109.5°
C1CH18109.5°109.5°
C1CH19109.4°109.5°
O2C27C3119.7°117.2°
O2C27N6120.0°117.1°
C28C29C1121.5°120.3°
C29C28C4120.2°120.1°
C29C28H15119.9°119.9°
C28C29H16119.2°119.8°
C29C1C2118.1°120.4°
C1C29H16119.2°119.9°
C28C4N119.0°119.8°
C28C4C3119.5°119.8°
C4C28H15119.9°119.9°
C1C2C3121.9°120.0°
C1C2H11119.1°120.0°
C4NC6113.5°119.0°
NC4C3121.5°120.4°
NC6C25120.1°120.7°
NC6N1118.3°119.9°
C4C3C2118.7°119.4°
C4C3C27125.2°120.8°
C2C3C27116.1°119.7°
C3C2H11119.1°120.0°
C3C27N6120.3°125.6°
C27N6C26114.8°116.6°
C27N6C25126.5°126.8°
C26N6C25118.7°116.6°
N6C26H12109.5°109.5°
N6C26H13109.5°109.5°
N6C26H14109.5°109.5°
N6C25C6124.8°121.9°
N6C25C24120.0°119.9°
C25C6N1121.6°119.3°
C6C25C24115.2°118.2°
C6N1C7117.3°120.6°
C25C24N5123.9°119.2°
C25C24H20118.1°120.4°
N1C7N5126.2°121.6°
N1C7N2118.3°119.2°
C21C20C16120.3°120.1°
C20C21C13120.7°119.9°
C20C21H23119.6°120.0°
C21C20H24119.8°119.9°
C20C16N4118.9°119.9°
C20C16C15119.1°120.1°
C16C20H24119.9°120.0°
C19C18C17113.2°109.5°
C19C18H25108.5°109.5°
C19C18H26108.5°109.5°
C18C19H27109.5°109.5°
C18C19H28109.5°109.5°
C18C19H29109.5°109.5°
C18C17N4113.4°120.0°
C18C17O122.4°120.0°
C17C18H25108.5°109.5°
C17C18H26108.5°109.5°
C21C13C12122.3°120.1°
C21C13C14118.7°119.9°
C13C21H23119.6°120.1°
C23C22C11120.5°120.0°
C22C23C8120.5°120.0°
C22C23H21119.8°120.0°
C23C22H22119.8°120.0°
C22C11N3117.1°120.0°
C22C11C10119.3°120.0°
C11C22H22119.7°120.0°
C23C8N2121.5°120.0°
C23C8C9119.0°120.0°
C8C23H21119.8°120.0°
C16N4C17128.3°120.0°
N4C16C15122.0°120.0°
C16N4H10115.8°120.0°
N4C17O124.2°119.9°
C17N4H10115.8°120.0°
C16C15C14120.4°120.1°
C16C15H9119.8°119.9°
C11N3C12128.2°120.0°
N3C11C10123.6°120.0°
C11N3H7115.9°120.0°
N3C12C13115.4°120.0°
N3C12O1123.6°120.0°
C12N3H7115.9°120.0°
C12C13C14119.0°120.1°
C13C12O1121.0°120.0°
C13C14C15120.8°119.9°
C13C14H8119.6°120.0°
C24N5C7115.8°121.1°
N5C24H20118.1°120.4°
C11C10C9120.4°120.0°
C11C10H6119.8°120.0°
N5C7N2115.5°119.2°
C7N2C8133.1°120.0°
C7N2H4113.4°120.0°
N2C8C9119.5°120.0°
C8N2H4113.5°120.0°
C8C9C10120.3°120.0°
C8C9H5119.8°120.0°
C15C14H8119.6°120.0°
C14C15H9119.8°120.0°
C10C9H5119.8°120.0°
C9C10H6119.8°120.0°
H1C5H2109.4°109.5°
H1C5H3109.4°109.5°
H2C5H3109.5°109.5°
H12C26H13109.4°109.5°
H12C26H14109.4°109.5°
H13C26H14109.5°109.5°
H17CH18109.4°109.4°
H17CH19109.5°109.5°
H18CH19109.5°109.4°
H25C18H26109.5°109.4°
H27C19H28109.5°109.5°
H27C19H29109.5°109.4°
H28C19H29109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5NC4C2831.3°61.5°
C5NC4C6146.6°180.0°
C5NC4C3147.5°119.4°
C5NC6C25151.6°119.7°
C5NC6N129.7°63.0°
NC5H1H2120.0°120.0°
NC5H1H3120.0°120.0°
NC5H2H3120.0°120.0°
CC1C29C28175.4°179.4°
CC1C29C2177.1°180.0°
CC1C2C3175.8°180.0°
CC1C2H114.1°0.0°
CC1C29H164.6°0.7°
C1CH17H18120.0°120.0°
C1CH17H19120.0°120.0°
C1CH18H19120.0°120.0°
O2C27C3C4146.5°141.2°
O2C27C3C232.1°38.0°
O2C27C3N6178.6°179.9°
O2C27N6C262.8°0.3°
O2C27N6C25176.0°179.6°
C28C29C1H16180.0°179.9°
C29C28C4H15180.0°179.9°
C28C29C1C21.7°0.6°
C29C28C4N177.3°177.7°
C29C28C4C31.5°1.5°
C1C29C28C40.3°0.1°
C29C1C2C31.3°0.1°
C29C1C2H11178.8°180.0°
C1C29C28H15179.7°180.0°
C29C1CH1791.5°90.0°
C29C1CH18148.5°150.0°
C29C1CH1928.5°30.0°
C28C4NC3178.8°179.1°
C28C4NC6115.3°118.5°
C28C4C3C21.9°2.1°
C28C4C3C27179.6°177.0°
C4C28C29H16179.7°180.0°
C1C2C3C40.5°1.4°
C1C2C3H11180.0°180.0°
C1C2C3C27179.2°177.7°
C2C1C29H16178.3°179.3°
C2C1CH1791.5°90.0°
C2C1CH1828.5°30.0°
C2C1CH19148.5°150.0°
NC4C3C2176.9°177.0°
NC4C3C271.6°3.8°
C4NC6C2561.6°60.3°
C4NC6N1117.2°117.0°
C4NC5H1180.0°90.1°
C4NC5H260.0°149.9°
C4NC5H360.0°29.9°
NC4C28H152.7°2.2°
C6NC4C365.9°60.6°
NC6C25N65.1°5.9°
NC6C25N1178.7°177.3°
NC6C25C24177.4°175.1°
NC6N1C7178.8°175.8°
C6NC5H135.0°90.0°
C6NC5H285.0°30.0°
C6NC5H3155.0°150.0°
C4C3C2C27178.6°179.2°
C4C3C27N634.9°38.7°
C4C3C2H11179.5°178.6°
C3C4C28H15178.5°178.6°
C2C3C27N6146.5°142.1°
C3C27N6C26178.6°179.6°
C3C27N6C252.6°0.5°
C27C3C2H110.8°2.2°
C27N6C26C25178.9°179.9°
C27N6C25C641.9°40.4°
C27N6C25C24140.8°140.7°
C27N6C26H12180.0°0.1°
C27N6C26H1360.0°120.0°
C27N6C26H1460.0°120.0°
C26N6C25C6139.4°139.7°
C26N6C25C2437.9°39.2°
N6C26H12H13120.0°120.0°
N6C26H12H14120.0°120.0°
N6C26H13H14120.0°120.0°
N6C25C6C24177.4°179.0°
N6C25C6N1176.2°176.8°
N6C25C24N5175.5°177.7°
C25N6C26H121.1°180.0°
C25N6C26H13121.1°60.0°
C25N6C26H14118.9°60.0°
N6C25C24H204.5°2.4°
C25C6N1C70.1°1.5°
C6C25C24N52.0°1.3°
C6C25C24H20178.0°178.6°
N1C6C25C241.2°2.2°
C6N1C7N50.9°0.0°
C6N1C7N2179.0°180.0°
C25C24N5H20180.0°179.9°
C25C24N5C71.4°0.2°
N1C7N5C240.1°0.9°
N1C7N5N2179.8°180.0°
N1C7N2C81.0°174.8°
N1C7N2H4179.0°5.2°
C21C20C16H24180.0°180.0°
C20C21C13H23180.0°180.0°
C21C20C16N4176.4°179.9°
C21C20C16C152.0°0.2°
C20C21C13C12175.0°180.0°
C20C21C13C141.6°0.3°
C16C20C21C130.2°0.0°
C20C16N4C15178.4°179.7°
C20C16N4C17178.3°143.7°
C20C16C15C142.0°0.2°
C20C16C15H9178.0°179.8°
C20C16N4H101.7°36.3°
C16C20C21H23179.8°180.0°
C19C18C17H25120.6°120.0°
C19C18C17H26120.6°120.0°
C19C18C17N498.0°180.0°
C19C18C17O82.1°0.1°
C19C18H25H26118.3°120.0°
C18C19H27H28120.0°120.1°
C18C19H27H29120.0°120.0°
C18C19H28H29120.0°120.0°
C18C17N4C16151.9°175.4°
C18C17N4O179.8°179.9°
C18C17N4H1028.1°4.6°
C17C18H25H26118.3°120.0°
C17C18C19H27180.0°60.0°
C17C18C19H2860.0°60.0°
C17C18C19H2960.0°180.0°
C21C13C12N3120.1°0.3°
C21C13C12C14176.6°179.7°
C21C13C12O159.4°179.8°
C21C13C14C151.6°0.3°
C21C13C14H8178.4°179.8°
C13C21C20H24179.8°180.0°
C23C22C11H22180.0°179.5°
C22C23C8H21180.0°179.8°
C23C22C11N3176.5°179.7°
C23C22C11C101.0°0.2°
C22C23C8N2179.9°179.7°
C22C23C8C90.2°0.6°
C11C22C23C80.6°0.5°
C22C11N3C10177.4°180.0°
C22C11N3C12148.7°35.6°
C22C11C10C90.6°0.0°
C22C11C10H6179.5°179.9°
C22C11N3H731.3°144.4°
C11C22C23H21179.4°179.7°
C23C8N2C71.6°33.7°
C23C8N2C9179.8°179.7°
C23C8C9C100.6°0.3°
C23C8N2H4178.5°146.3°
C23C8C9H5179.4°179.7°
C8C23C22H22179.4°180.0°
C16N4C17H10180.0°180.0°
C16N4C17O27.9°4.7°
N4C16C15C14176.4°179.9°
N4C16C15H93.6°0.1°
N4C16C20H243.6°0.0°
C17N4C16C150.1°36.6°
N4C17C18H2522.5°60.0°
N4C17C18H26141.4°60.0°
C16C15C14C130.1°0.0°
C16C15C14H9180.0°180.0°
C16C15C14H8179.8°180.0°
C15C16N4H10179.9°143.4°
C15C16C20H24178.0°179.7°
C11N3C12H7180.0°180.0°
C11N3C12C13167.0°175.3°
C11N3C12O113.4°4.8°
N3C11C10C9176.8°180.0°
N3C11C10H63.2°0.0°
N3C11C22H223.5°0.2°
N3C12C13O1179.6°180.0°
N3C12C13C1456.4°180.0°
C12N3C11C1033.9°144.5°
OC17N4H10152.1°175.3°
OC17C18H25157.3°120.0°
OC17C18H2638.4°120.1°
C12C13C14C15175.1°180.0°
C13C12N3H713.0°4.7°
C12C13C14H84.9°0.0°
C12C13C21H235.0°0.0°
C14C13C12O1124.0°0.0°
C13C14C15H8180.0°180.0°
C13C14C15H9179.8°180.0°
C14C13C21H23178.4°179.7°
C24N5C7N2179.7°179.1°
C11C10C9C80.2°0.0°
C11C10C9H6180.0°180.0°
C11C10C9H5179.8°180.0°
C10C11N3H7146.1°35.5°
C10C11C22H22179.0°179.7°
N5C7N2C8179.1°5.1°
N5C7N2H40.9°174.8°
C7N5C24H20178.6°179.9°
C7N2C8H4180.0°180.0°
C7N2C8C9178.2°146.6°
O1C12N3H7166.6°175.3°
N2C8C9C10179.6°180.0°
N2C8C9H50.3°0.0°
N2C8C23H210.0°0.0°
C8C9C10H5180.0°180.0°
C9C8N2H41.8°33.4°
C8C9C10H6179.7°180.0°
C9C8C23H21179.8°179.7°
H1C5H2H3119.9°120.0°
H5C9C10H60.2°0.0°
H8C14C15H90.2°0.0°
H12C26H13H14119.9°120.0°
H15C28C29H160.3°0.1°
H17CH18H19120.0°119.9°
H21C23C22H220.6°0.2°
H23C21C20H240.2°0.0°
H25C18C19H2759.5°180.0°
H25C18C19H2860.6°60.0°
H25C18C19H29179.5°60.0°
H26C18C19H2759.4°60.0°
H26C18C19H28179.4°180.0°
H26C18C19H2960.6°60.0°
H27C19H28H29120.0°119.9°

222415

PDB entries from 2024-07-10

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