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0OE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC8sing1.74Å1.73Å
C9C8doub1.38Å1.38ÅAromatic
C9C10sing1.38Å1.39ÅAromatic
C8C7sing1.38Å1.39ÅAromatic
C10C11doub1.38Å1.39ÅAromatic
C7C6doub1.40Å1.40ÅAromatic
C11C6sing1.40Å1.40ÅAromatic
C6C5sing1.48Å1.51Å
O29C27doub1.21Å1.26Å
C25C26doub1.38Å1.39ÅAromatic
C25C24sing1.40Å1.39ÅAromatic
C26C21sing1.39Å1.39ÅAromatic
C27C24sing1.48Å1.49Å
C27O28sing1.35Å1.26Å
C24C23doub1.40Å1.39ÅAromatic
C5N1sing1.36Å1.37ÅAromatic
C5C4doub1.39Å1.44ÅAromatic
C21C19sing1.48Å1.51Å
C21C22doub1.40Å1.38ÅAromatic
N1N2sing1.40Å1.33ÅAromatic
C20C19doub1.39Å1.39ÅAromatic
C20C15sing1.40Å1.40ÅAromatic
C19C18sing1.40Å1.40ÅAromatic
C15N16sing1.36Å1.39ÅAromatic
C15C14doub1.41Å1.41ÅAromatic
C18C17doub1.37Å1.40ÅAromatic
N16C12doub1.31Å1.34ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C14C17sing1.39Å1.38ÅAromatic
C14N13sing1.38Å1.41ÅAromatic
C12N13sing1.37Å1.40ÅAromatic
C12C4sing1.48Å1.51Å
N13C31sing1.46Å1.48Å
C4C3sing1.41Å1.38ÅAromatic
C31C32sing1.53Å1.51Å
N2C3doub1.31Å1.39ÅAromatic
N36C35doub1.31Å1.35ÅAromatic
N36C37sing1.34Å1.39ÅAromatic
C35N34sing1.35Å1.40ÅAromatic
C32C33sing1.53Å1.51Å
N34C33sing1.46Å1.45Å
N34C38sing1.37Å1.40ÅAromatic
C37C38doub1.35Å1.42ÅAromatic
N1H1sing0.97Å1.00Å
C3H2sing1.08Å1.08Å
C7H3sing1.08Å1.08Å
C9H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C11H6sing1.08Å1.08Å
C17H7sing1.08Å1.08Å
C18H8sing1.08Å1.08Å
C20H9sing1.08Å1.08Å
C22H10sing1.08Å1.08Å
C23H11sing1.08Å1.08Å
C25H12sing1.08Å1.08Å
C26H13sing1.08Å1.08Å
O28H14sing0.97Å0.95Å
C31H15sing1.09Å1.10Å
C31H16sing1.09Å1.10Å
C32H17sing1.09Å1.10Å
C32H18sing1.09Å1.10Å
C33H19sing1.09Å1.10Å
C33H20sing1.09Å1.10Å
C35H21sing1.08Å1.08Å
C37H22sing1.08Å1.08Å
C38H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC8C9118.1°120.0°
CLC8C7121.2°120.0°
C8C9C10120.4°120.3°
C9C8C7120.7°120.1°
C8C9H4119.8°119.9°
C9C10C11119.5°120.2°
C10C9H4119.8°119.8°
C9C10H5120.2°119.9°
C8C7C6119.1°119.9°
C8C7H3120.4°120.1°
C10C11C6120.6°119.9°
C11C10H5120.3°120.0°
C10C11H6119.7°120.0°
C7C6C11119.7°119.7°
C7C6C5121.9°120.1°
C6C7H3120.4°120.1°
C11C6C5118.4°120.1°
C6C11H6119.7°120.1°
C6C5N1122.8°126.5°
C6C5C4128.1°126.5°
O29C27C24119.4°120.0°
O29C27O28122.0°120.0°
C26C25C24120.0°120.0°
C25C26C21119.8°120.0°
C26C25H12120.0°120.0°
C25C26H13120.1°120.0°
C25C24C27119.3°120.1°
C25C24C23119.9°119.9°
C24C25H12120.0°120.0°
C26C21C19119.0°120.0°
C26C21C22120.4°120.1°
C21C26H13120.1°120.0°
C24C27O28118.5°120.0°
C27C24C23120.7°120.0°
C27O28H14109.5°117.0°
C24C23C22120.0°120.0°
C24C23H11120.0°120.0°
N1C5C4109.2°106.9°
C5N1N2105.3°108.2°
C5N1H1127.3°125.9°
C5C4C12127.1°126.4°
C5C4C3106.9°107.2°
C19C21C22120.5°119.9°
C21C19C20122.0°119.9°
C21C19C18117.2°119.9°
C21C22C23119.9°120.0°
C21C22H10120.1°120.0°
N1N2C3113.9°109.2°
N2N1H1127.3°126.0°
C19C20C15117.0°119.5°
C20C19C18120.7°120.3°
C19C20H9121.5°120.2°
C20C15N16127.5°133.3°
C20C15C14120.8°119.4°
C15C20H9121.5°120.2°
C19C18C17123.0°120.4°
C19C18H8118.5°119.8°
N16C15C14111.7°107.2°
C15N16C12104.7°109.6°
C15C14C17123.2°120.1°
C15C14N13104.5°106.1°
C18C17C14115.2°120.2°
C18C17H7122.4°119.9°
C17C18H8118.5°119.8°
N16C12N13112.3°109.8°
N16C12C4124.4°125.1°
C23C22H10120.1°120.0°
C22C23H11120.0°120.0°
C17C14N13132.3°133.7°
C14C17H7122.4°119.9°
C14N13C12106.9°107.2°
C14N13C31126.1°126.4°
N13C12C4123.3°125.1°
C12N13C31127.0°126.4°
C12C4C3126.0°126.4°
N13C31C32107.9°109.5°
N13C31H15109.8°109.5°
N13C31H16109.8°109.5°
C4C3N2104.7°108.4°
C4C3H2127.6°125.8°
C31C32C33112.4°109.5°
C32C31H15109.8°109.4°
C32C31H16109.9°109.4°
C31C32H17108.7°109.5°
C31C32H18108.7°109.5°
N2C3H2127.7°125.8°
C35N36C37105.0°109.3°
N36C35N34111.7°108.7°
N36C35H21124.1°125.7°
N36C37C38111.3°108.0°
N36C37H22124.3°126.0°
C35N34C33126.5°126.4°
C35N34C38107.2°107.2°
N34C35H21124.1°125.7°
C32C33N34109.6°109.5°
C33C32H17108.7°109.4°
C33C32H18108.7°109.5°
C32C33H19109.4°109.5°
C32C33H20109.4°109.5°
C33N34C38126.2°126.4°
N34C33H19109.4°109.5°
N34C33H20109.4°109.5°
N34C38C37104.8°106.8°
N34C38H23127.6°126.6°
C38C37H22124.4°126.0°
C37C38H23127.6°126.6°
H15C31H16109.5°109.4°
H17C32H18109.5°109.4°
H19C33H20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC8C9C7179.7°179.9°
CLC8C9C10179.8°179.9°
CLC8C7C6180.0°180.0°
CLC8C7H30.1°0.0°
CLC8C9H40.1°0.1°
C8C9C10H4180.0°179.9°
C8C9C10C110.2°0.4°
C9C8C7C60.3°0.1°
C9C8C7H3179.7°180.0°
C8C9C10H5179.8°179.9°
C10C9C8C70.1°0.1°
C9C10C11H5180.0°179.7°
C9C10C11C60.4°0.6°
C9C10C11H6179.6°180.0°
C8C7C6H3180.0°180.0°
C8C7C6C110.6°0.3°
C8C7C6C5179.1°180.0°
C7C8C9H4179.8°180.0°
C10C11C6C70.6°0.5°
C10C11C6H6180.0°179.4°
C10C11C6C5179.2°179.8°
C11C10C9H4179.8°179.7°
C7C6C11C5178.6°179.7°
C7C6C5N1121.9°45.1°
C7C6C5C457.6°134.5°
C7C6C11H6179.4°180.0°
C11C6C5N156.6°135.2°
C11C6C5C4123.9°45.2°
C11C6C7H3179.4°179.8°
C6C11C10H5179.5°179.7°
C6C5N1C4179.6°179.7°
C6C5N1N2180.0°179.9°
C6C5C4C121.0°0.1°
C6C5C4C3179.8°179.9°
C6C5N1H10.0°0.1°
C5C6C7H30.9°0.1°
C5C6C11H60.8°0.3°
O29C27C24C255.5°180.0°
O29C27C24O28175.6°179.9°
O29C27C24C23177.9°0.0°
O29C27O28H140.0°0.1°
C26C25C24H12180.0°179.4°
C25C26C21H13180.0°179.5°
C26C25C24C27178.5°179.8°
C26C25C24C231.8°0.3°
C25C26C21C19177.7°179.7°
C25C26C21C220.5°0.5°
C24C25C26C210.5°0.5°
C25C24C27C23176.6°179.9°
C25C24C27O28170.1°0.0°
C25C24C23C222.1°0.1°
C25C24C23H11177.9°180.0°
C24C25C26H13179.5°180.0°
C26C21C19C22177.1°179.8°
C26C21C19C2035.4°0.1°
C26C21C19C18140.9°179.7°
C26C21C22C230.2°0.3°
C26C21C22H10179.8°179.8°
C21C26C25H12179.5°180.0°
C27C24C23C22178.8°180.0°
C27C24C23H111.2°0.0°
C27C24C25H121.5°0.3°
C24C27O28H14175.4°180.0°
O28C27C24C236.6°179.9°
C24C23C22C211.1°0.0°
C24C23C22H11180.0°180.0°
C24C23C22H10178.9°180.0°
C23C24C25H12178.2°179.7°
C5N1N2H1180.0°179.8°
N1C5C4C12179.5°179.8°
N1C5C4C30.7°0.4°
C5N1N2C30.1°0.2°
C4C5N1N20.4°0.4°
C5C4C12N16112.2°47.4°
C5C4C12N1368.1°132.3°
C5C4C12C3178.6°179.8°
C5C4C3N20.6°0.2°
C4C5N1H1179.6°179.8°
C5C4C3H2179.4°179.8°
C21C19C20C18176.2°179.8°
C21C19C20C15178.0°179.9°
C21C19C18C17178.4°180.0°
C19C21C22C23177.3°179.9°
C21C19C18H81.6°0.1°
C21C19C20H92.0°0.2°
C19C21C22H102.7°0.0°
C19C21C26H132.3°0.2°
C22C21C19C20147.5°179.9°
C22C21C19C1836.2°0.1°
C21C22C23H10180.0°180.0°
C21C22C23H11178.9°180.0°
C22C21C26H13179.5°180.0°
N1N2C3C40.4°0.0°
N1N2C3H2179.7°179.9°
C19C20C15H9180.0°179.7°
C19C20C15N16179.5°179.9°
C19C20C15C141.0°0.3°
C20C19C18C172.0°0.2°
C20C19C18H8178.0°179.9°
C15C20C19C181.8°0.3°
C20C15N16C14179.5°179.6°
C20C15N16C12179.9°180.0°
C20C15C14C170.4°0.2°
C20C15C14N13179.9°179.9°
C19C18C17H8180.0°179.9°
C19C18C17C141.3°0.1°
C19C18C17H7178.7°180.0°
C18C19C20H9178.2°180.0°
N16C15C14C17179.9°179.8°
N16C15C14N130.3°0.2°
C15N16C12N130.3°0.4°
C15N16C12C4179.4°179.9°
N16C15C20H90.5°0.5°
C15C14C17C180.5°0.1°
C14C15N16C120.4°0.4°
C15C14C17N13179.7°179.9°
C15C14N13C120.1°0.0°
C15C14N13C31178.9°180.0°
C15C14C17H7179.5°180.0°
C14C15C20H9179.0°180.0°
C18C17C14H7180.0°179.9°
C18C17C14N13179.8°180.0°
N16C12N13C140.1°0.2°
N16C12N13C4179.7°179.8°
N16C12N13C31179.2°179.8°
N16C12C4C369.2°132.8°
C17C14N13C12179.9°179.9°
C17C14N13C310.8°0.1°
C14C17C18H8178.7°180.0°
C14N13C12C31179.1°180.0°
C14N13C12C4179.6°180.0°
C14N13C31C3279.7°91.7°
N13C14C17H70.2°0.1°
C14N13C31H15160.5°28.3°
C14N13C31H1640.1°148.3°
N13C12C4C3110.5°47.5°
C12N13C31C3299.2°88.3°
C12N13C31H1520.6°151.7°
C12N13C31H16141.0°31.7°
C4C12N13C310.5°0.0°
C12C4C3N2179.4°180.0°
C12C4C3H20.6°0.0°
N13C31C32H15119.7°120.0°
N13C31C32H16119.8°120.0°
N13C31C32C33162.3°180.0°
N13C31H15H16120.7°120.0°
N13C31C32H1777.3°60.0°
N13C31C32H1841.8°60.0°
C4C3N2H2180.0°179.9°
C31C32C33H17120.4°120.0°
C31C32C33H18120.4°120.1°
C31C32C33N3459.5°180.0°
C32C31H15H16120.7°119.9°
C31C32H17H18118.6°120.0°
C31C32C33H1960.5°60.0°
C31C32C33H20179.5°60.0°
C3N2N1H1180.0°180.0°
N36C35N34H21180.0°180.0°
N36C35N34C33179.1°180.0°
N36C35N34C380.0°0.3°
C35N36C37C380.4°0.2°
C35N36C37H22179.6°179.9°
C37N36C35N340.3°0.0°
N36C37C38N340.4°0.4°
N36C37C38H22180.0°179.9°
C37N36C35H21179.7°180.0°
N36C37C38H23179.6°179.7°
C35N34C33C32117.2°89.7°
C35N34C33C38178.9°179.7°
C35N34C38C370.2°0.4°
C35N34C33H192.8°150.3°
C35N34C33H20122.8°30.3°
C35N34C38H23179.8°179.7°
C32C33N34H19120.0°120.0°
C32C33N34H20120.0°120.0°
C32C33N34C3861.8°90.0°
C33C32C31H1542.5°60.0°
C33C32C31H1678.0°59.9°
C33C32H17H18118.7°120.0°
C32C33H19H20119.9°120.0°
C33N34C38C37179.3°179.9°
N34C33C32H17179.9°60.0°
N34C33C32H1861.0°60.0°
N34C33H19H20119.9°120.0°
C33N34C35H210.9°0.0°
C33N34C38H230.6°0.0°
N34C38C37H23180.0°179.9°
C38N34C33H19178.2°30.0°
C38N34C33H2058.2°150.0°
C38N34C35H21180.0°179.8°
N34C38C37H22179.6°179.7°
H4C9C10H50.2°0.1°
H5C10C11H60.5°0.3°
H7C17C18H81.3°0.1°
H10C22C23H111.1°0.0°
H12C25C26H130.5°0.5°
H15C31C32H17163.0°180.0°
H15C31C32H1877.9°60.1°
H16C31C32H1742.5°60.0°
H16C31C32H18161.6°180.0°
H17C32C33H1959.9°180.0°
H17C32C33H2060.1°60.0°
H18C32C33H19179.0°60.1°
H18C32C33H2059.0°180.0°
H22C37C38H230.4°0.2°

248636

PDB entries from 2026-02-04

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