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ZT3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C3doub1.38Å1.37ÅAromatic
C4Csing1.40Å1.38ÅAromatic
C3C2sing1.38Å1.37ÅAromatic
C5Csing1.50Å1.48Å
C5N8sing1.45Å1.43Å
CC1doub1.38Å1.38ÅAromatic
OC14doub1.22Å1.22Å
C16C12sing1.51Å1.49Å
N8C14sing1.35Å1.38Å
N8C7sing1.40Å1.39Å
C2Ndoub1.31Å1.33ÅAromatic
C14N17sing1.35Å1.38Å
C26C24sing1.53Å1.51Å
C1Nsing1.34Å1.34ÅAromatic
C1N9sing1.38Å1.41Å
C12C7doub1.39Å1.38ÅAromatic
C12C13sing1.38Å1.37ÅAromatic
C7C6sing1.39Å1.38ÅAromatic
C23C22doub1.38Å1.37ÅAromatic
C23C18sing1.39Å1.37ÅAromatic
C22C21sing1.38Å1.38ÅAromatic
C15C13sing1.51Å1.49Å
C6N9sing1.39Å1.41Å
C6C11doub1.38Å1.37ÅAromatic
C13C10doub1.38Å1.37ÅAromatic
N17C18sing1.40Å1.39Å
C18C19doub1.39Å1.37ÅAromatic
C21C24sing1.51Å1.50Å
C21C20doub1.38Å1.38ÅAromatic
C24C25sing1.53Å1.51Å
C24C27sing1.53Å1.51Å
C11C10sing1.39Å1.37ÅAromatic
C19C20sing1.38Å1.37ÅAromatic
C10H1sing1.08Å1.08Å
C11H2sing1.08Å1.08Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C16H6sing1.09Å1.10Å
C16H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C19H9sing1.08Å1.08Å
C2H10sing1.08Å1.08Å
C20H11sing1.08Å1.08Å
C22H12sing1.08Å1.08Å
C23H13sing1.08Å1.08Å
C25H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C25H16sing1.09Å1.10Å
C26H17sing1.09Å1.10Å
C26H18sing1.09Å1.10Å
C26H19sing1.09Å1.10Å
C27H20sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C27H22sing1.09Å1.10Å
C3H23sing1.08Å1.08Å
C4H24sing1.08Å1.08Å
C5H25sing1.09Å1.10Å
C5H26sing1.09Å1.10Å
N17H27sing0.97Å1.00Å
N9H28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C4C119.3°119.6°
C4C3C2116.7°118.9°
C4C3H23121.6°120.5°
C3C4H24120.4°120.2°
C4CC5116.9°115.2°
C4CC1120.2°118.4°
CC4H24120.3°120.2°
C3C2N125.5°120.2°
C3C2H10117.3°119.9°
C2C3H23121.7°120.5°
CC5N8109.3°113.9°
C5CC1122.9°126.4°
CC5H25109.5°108.6°
CC5H26109.5°108.6°
C5N8C14121.4°119.3°
C5N8C7111.3°121.3°
N8C5H25109.5°108.6°
N8C5H26109.5°108.6°
CC1N121.0°120.0°
CC1N9123.8°124.7°
OC14N8123.0°120.0°
OC14N17121.3°120.0°
C16C12C7122.5°120.2°
C16C12C13118.2°120.2°
C12C16H6109.5°109.5°
C12C16H7109.4°109.4°
C12C16H8109.5°109.5°
C14N8C7121.0°119.3°
N8C14N17115.7°120.0°
N8C7C12119.3°120.9°
N8C7C6118.4°119.2°
C2NC1117.3°122.9°
NC2H10117.2°119.9°
C14N17C18113.7°120.0°
C14N17H27123.1°120.0°
C26C24C21107.2°109.5°
C26C24C25108.7°109.4°
C26C24C27108.3°109.5°
C24C26H17109.5°109.4°
C24C26H18109.5°109.5°
C24C26H19109.5°109.5°
NC1N9115.3°115.3°
C1N9C6130.9°123.9°
C1N9H28114.5°118.1°
C7C12C13119.3°119.6°
C12C7C6122.3°119.9°
C12C13C15118.7°119.8°
C12C13C10119.4°120.4°
C7C6N9124.6°117.6°
C7C6C11117.3°120.5°
C22C23C18119.4°119.9°
C23C22C21120.8°120.1°
C23C22H12119.6°119.9°
C22C23H13120.3°120.1°
C23C18N17119.8°120.1°
C23C18C19120.8°119.8°
C18C23H13120.3°120.0°
C22C21C24119.1°119.9°
C22C21C20118.6°120.1°
C21C22H12119.6°120.0°
C15C13C10121.9°119.8°
C13C15H3109.5°109.5°
C13C15H4109.5°109.5°
C13C15H5109.5°109.4°
N9C6C11118.1°121.9°
C6N9H28114.5°118.1°
C6C11C10121.2°119.4°
C6C11H2119.4°120.3°
C13C10C11120.5°120.2°
C13C10H1119.7°119.9°
N17C18C19119.4°120.1°
C18N17H27123.2°120.0°
C18C19C20119.1°119.9°
C18C19H9120.4°120.0°
C24C21C20122.3°120.0°
C21C24C25110.8°109.5°
C21C24C27113.0°109.5°
C21C20C19121.2°120.1°
C21C20H11119.4°120.0°
C25C24C27108.8°109.4°
C24C25H14109.5°109.5°
C24C25H15109.4°109.5°
C24C25H16109.5°109.4°
C24C27H20109.5°109.5°
C24C27H21109.5°109.5°
C24C27H22109.5°109.5°
C11C10H1119.7°119.9°
C10C11H2119.4°120.3°
C20C19H9120.5°120.0°
C19C20H11119.4°119.9°
H3C15H4109.5°109.5°
H3C15H5109.4°109.5°
H4C15H5109.4°109.5°
H6C16H7109.5°109.5°
H6C16H8109.5°109.5°
H7C16H8109.5°109.5°
H14C25H15109.5°109.5°
H14C25H16109.5°109.4°
H15C25H16109.5°109.5°
H17C26H18109.5°109.4°
H17C26H19109.5°109.5°
H18C26H19109.4°109.5°
H20C27H21109.4°109.4°
H20C27H22109.5°109.4°
H21C27H22109.5°109.5°
H25C5H26109.4°108.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C4CH24180.0°179.9°
C4C3C2H23180.0°180.0°
C3C4CC5178.8°179.7°
C3C4CC10.3°0.1°
C4C3C2N0.4°0.1°
C4C3C2H10179.6°179.9°
CC4C3C20.2°0.1°
C4CC5C1179.1°179.8°
C4CC5N8131.2°168.5°
C4CC1N0.1°0.3°
C4CC1N9179.6°179.5°
CC4C3H23179.8°179.9°
C4CC5H2511.2°47.4°
C4CC5H26108.9°70.3°
C3C2NH10180.0°180.0°
C3C2NC10.9°0.0°
C2C3C4H24179.8°180.0°
CC5N8H25120.0°121.2°
CC5N8H26120.0°121.1°
CC5N8C1458.2°115.1°
CC5N8C794.2°64.9°
C5CC1N179.2°179.6°
C5CC1N90.5°0.7°
C5CC4H241.2°0.3°
CC5H25H26120.1°117.8°
N8C5CC147.9°11.6°
C5N8C14O11.8°9.4°
C5N8C14C7149.8°180.0°
C5N8C14N17169.1°170.5°
C5N8C7C12113.7°110.9°
C5N8C7C665.0°65.8°
N8C5H25H26120.0°117.8°
CC1NC20.7°0.2°
CC1NN9179.7°179.7°
CC1N9C60.2°45.7°
C1CC4H24179.7°179.8°
C1CC5H25167.9°132.7°
C1CC5H2672.0°109.5°
CC1N9H28179.8°134.3°
OC14N8N17179.0°179.9°
OC14N8C7161.6°170.6°
OC14N17C1830.6°7.6°
OC14N17H27149.4°172.4°
C16C12C7N80.6°5.1°
C16C12C7C13179.8°180.0°
C16C12C7C6179.3°178.1°
C16C12C13C150.1°0.1°
C16C12C13C10179.7°179.9°
C12C16H6H7120.0°120.0°
C12C16H6H8120.0°120.0°
C12C16H7H8120.0°119.9°
C14N8C7C1293.7°69.0°
C14N8C7C687.5°114.2°
N8C14N17C18148.4°172.3°
C14N8C5H2561.8°6.0°
C14N8C5H26178.2°123.7°
N8C14N17H2731.6°7.7°
C7N8C14N1719.4°9.5°
N8C7C12C6178.7°176.7°
N8C7C12C13179.7°174.8°
N8C7C6N91.4°6.4°
N8C7C6C11179.7°174.0°
C7N8C5H25145.8°173.9°
C7N8C5H2625.8°56.2°
C2NC1N9179.1°179.5°
NC2C3H23179.6°179.9°
C14N17C18C2376.2°22.0°
C14N17C18H27180.0°180.0°
C14N17C18C19102.4°157.7°
C26C24C21C2266.1°0.0°
C26C24C21C25118.4°120.0°
C26C24C21C27119.2°120.0°
C26C24C21C20113.4°180.0°
C26C24C25C27117.7°120.0°
C26C24C25H14180.0°60.1°
C26C24C25H1560.0°60.0°
C26C24C25H1660.0°180.0°
C24C26H17H18120.0°120.0°
C24C26H17H19120.0°120.0°
C24C26H18H19120.0°120.0°
C26C24C27H20180.0°180.0°
C26C24C27H2160.0°60.0°
C26C24C27H2260.0°60.0°
NC1N9C6179.9°134.6°
C1NC2H10179.2°179.9°
NC1N9H280.0°45.4°
C1N9C6C726.6°64.0°
C1N9C6H28180.0°180.0°
C1N9C6C11154.6°116.4°
C7C12C13C15179.9°179.9°
C12C7C6N9179.9°176.8°
C12C7C6C111.0°2.8°
C7C12C13C100.6°0.1°
C7C12C16H690.1°90.0°
C7C12C16H7149.9°150.0°
C7C12C16H829.9°30.0°
C13C12C7C60.9°1.9°
C12C13C15C10179.6°180.0°
C12C13C10C110.3°0.9°
C12C13C10H1179.7°179.0°
C12C13C15H389.8°90.0°
C12C13C15H4150.2°150.0°
C12C13C15H530.2°30.0°
C13C12C16H690.1°90.0°
C13C12C16H729.9°30.0°
C13C12C16H8149.9°150.0°
C7C6N9C11178.8°179.6°
C7C6C11C100.7°1.8°
C7C6C11H2179.3°178.3°
C7C6N9H28153.4°116.0°
C22C23C18H13180.0°180.0°
C23C22C21H12180.0°179.9°
C22C23C18N17178.7°179.7°
C22C23C18C190.1°0.0°
C23C22C21C24179.6°180.0°
C23C22C21C200.1°0.0°
C18C23C22C210.1°0.0°
C23C18N17C19178.7°179.8°
C23C18C19C200.3°0.0°
C23C18C19H9179.7°179.9°
C18C23C22H12179.9°179.9°
C23C18N17H27103.7°158.0°
C22C21C24C20179.5°180.0°
C22C21C24C2552.3°120.0°
C22C21C24C27174.7°120.0°
C22C21C20C190.1°0.0°
C22C21C20H11179.9°179.9°
C21C22C23H13179.9°180.0°
C15C13C10C11179.9°179.1°
C15C13C10H10.1°1.0°
C13C15H3H4120.0°120.0°
C13C15H3H5120.0°119.9°
C13C15H4H5120.0°120.0°
N9C6C11C10179.7°177.8°
N9C6C11H20.3°2.1°
C6C11C10C130.4°0.0°
C6C11C10H2180.0°179.9°
C6C11C10H1179.6°179.9°
C11C6N9H2825.4°63.6°
C13C10C11H1180.0°179.9°
C13C10C11H2179.6°179.9°
C10C13C15H389.8°90.0°
C10C13C15H430.2°30.0°
C10C13C15H5150.2°150.0°
N17C18C19C20179.0°179.7°
N17C18C19H91.0°0.3°
N17C18C23H131.3°0.3°
C18C19C20C210.3°0.0°
C18C19C20H9180.0°180.0°
C18C19C20H11179.7°180.0°
C19C18C23H13179.9°180.0°
C19C18N17H2777.6°22.3°
C21C24C25C27124.8°120.0°
C24C21C20C19179.4°180.0°
C24C21C20H110.6°0.0°
C24C21C22H120.4°0.0°
C21C24C25H1462.5°60.0°
C21C24C25H15177.5°180.0°
C21C24C25H1657.5°60.0°
C21C24C26H17180.0°60.1°
C21C24C26H1860.0°180.0°
C21C24C26H1960.0°59.9°
C21C24C27H2061.4°60.0°
C21C24C27H2158.6°179.9°
C21C24C27H22178.6°60.0°
C20C21C24C25128.2°60.0°
C20C21C24C275.8°60.0°
C21C20C19H11180.0°179.9°
C21C20C19H9179.7°179.9°
C20C21C22H12179.9°179.9°
C24C25H14H15120.0°120.1°
C24C25H14H16120.0°119.9°
C24C25H15H16120.0°120.0°
C25C24C26H1760.2°179.9°
C25C24C26H18179.8°60.0°
C25C24C26H1959.8°60.1°
C25C24C27H2062.1°60.0°
C25C24C27H21177.9°59.9°
C25C24C27H2257.9°180.0°
C27C24C25H1462.4°180.0°
C27C24C25H1557.7°59.9°
C27C24C25H16177.6°60.0°
C27C24C26H1757.8°60.0°
C27C24C26H1862.2°60.0°
C27C24C26H19177.8°180.0°
C24C27H20H21120.0°120.0°
C24C27H20H22120.0°120.0°
C24C27H21H22120.0°120.1°
H1C10C11H20.4°0.2°
H3C15H4H5119.9°120.0°
H6C16H7H8120.0°120.0°
H9C19C20H110.3°0.0°
H10C2C3H230.4°0.1°
H12C22C23H130.1°0.0°
H14C25H15H16120.0°120.0°
H17C26H18H19120.0°120.0°
H20C27H21H22120.0°119.9°
H23C3C4H240.2°0.0°

224201

PDB entries from 2024-08-28

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