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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C36C31sing1.51Å1.53Å
C31O32sing1.34Å1.38ÅAromatic
C31C16doub1.37Å1.40ÅAromatic
O32N33sing1.21Å1.40ÅAromatic
N33C34doub1.30Å1.34ÅAromatic
C34C35sing1.51Å1.51Å
C34C16sing1.42Å1.41ÅAromatic
C16C1sing1.49Å1.43Å
C1C6sing1.40Å1.41Å
C1C2doub1.38Å1.39Å
C6C5doub1.39Å1.41Å
C2C15sing1.51Å1.52Å
C2N3sing1.36Å1.42Å
N3C7sing1.40Å1.42Å
N3C4sing1.35Å1.40Å
C7C12sing1.39Å1.38ÅAromatic
C7C8doub1.39Å1.40ÅAromatic
C12C11doub1.38Å1.39ÅAromatic
C11CLsing1.74Å1.73Å
C11C10sing1.38Å1.38ÅAromatic
C10C9doub1.38Å1.40ÅAromatic
C9C8sing1.38Å1.40ÅAromatic
C4O14doub1.22Å1.25Å
C4C5sing1.42Å1.41Å
C5C17sing1.47Å1.51Å
C17O19doub1.22Å1.25Å
C17N18sing1.35Å1.33Å
N18C20sing1.46Å1.47Å
C20C21sing1.51Å1.52Å
C21C22sing1.38Å1.38ÅAromatic
C21C26doub1.38Å1.40ÅAromatic
C22C23doub1.38Å1.39ÅAromatic
C23C24sing1.38Å1.39ÅAromatic
C24S27sing1.76Å1.76Å
C24C25doub1.38Å1.39ÅAromatic
S27C30sing1.81Å1.77Å
S27O29doub1.42Å1.49Å
S27O28doub1.42Å1.49Å
C25C26sing1.38Å1.38ÅAromatic
C36H361sing1.09Å1.10Å
C36H362sing1.09Å1.10Å
C36H363sing1.09Å1.10Å
C35H351sing1.09Å1.10Å
C35H352sing1.09Å1.10Å
C35H353sing1.09Å1.10Å
C6H6sing1.08Å1.08Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
C12H12sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
N18H18sing0.97Å1.00Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C22H22sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C30H303sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C36C31O32124.2°126.9°
C36C31C16126.8°126.9°
C31C36H361109.5°109.5°
C31C36H362109.5°109.5°
C31C36H363109.4°109.4°
O32C31C16109.0°106.2°
C31O32N33107.8°111.8°
C31C16C34105.1°103.7°
C31C16C1124.4°128.1°
O32N33C34107.7°112.0°
N33C34C35119.8°126.9°
N33C34C16110.4°106.3°
C35C34C16129.8°126.8°
C34C35H351109.5°109.5°
C34C35H352109.5°109.5°
C34C35H353109.5°109.5°
C34C16C1130.4°128.2°
C16C1C6119.3°120.2°
C16C1C2123.6°120.1°
C6C1C2117.1°119.7°
C1C6C5122.7°118.9°
C1C6H6118.6°120.6°
C1C2C15121.6°119.5°
C1C2N3120.7°120.9°
C6C5C4119.5°119.1°
C6C5C17117.2°120.5°
C5C6H6118.6°120.5°
C15C2N3117.7°119.5°
C2C15H151109.5°109.5°
C2C15H152109.5°109.5°
C2C15H153109.5°109.5°
C2N3C7121.5°119.4°
C2N3C4121.9°121.2°
C7N3C4116.6°119.4°
N3C7C12119.1°120.1°
N3C7C8120.3°120.0°
N3C4O14117.2°120.0°
N3C4C5118.0°120.1°
C12C7C8120.5°119.9°
C7C12C11119.2°119.9°
C7C12H12120.4°120.0°
C7C8C9120.1°119.9°
C7C8H8120.0°120.1°
C12C11CL118.8°119.9°
C12C11C10121.5°120.1°
C11C12H12120.4°120.1°
CLC11C10119.7°120.0°
C11C10C9119.6°120.1°
C11C10H10120.2°119.9°
C10C9C8119.1°120.1°
C9C10H10120.2°119.9°
C10C9H9120.5°119.9°
C9C8H8119.9°120.0°
C8C9H9120.4°120.0°
O14C4C5124.8°119.9°
C4C5C17123.0°120.4°
C5C17O19120.4°120.0°
C5C17N18116.4°120.0°
O19C17N18123.0°120.0°
C17N18C20117.9°120.0°
C17N18H18121.0°120.0°
N18C20C21118.9°109.5°
C20N18H18121.0°120.0°
N18C20H201107.1°109.5°
N18C20H202107.0°109.5°
C20C21C22123.3°120.0°
C20C21C26115.9°120.0°
C21C20H201107.0°109.5°
C21C20H202107.1°109.5°
C22C21C26120.8°120.1°
C21C22C23118.6°119.9°
C21C22H22120.7°120.0°
C21C26C25120.3°120.0°
C21C26H26119.9°120.0°
C22C23C24120.7°120.0°
C23C22H22120.7°120.0°
C22C23H23119.7°119.9°
C23C24S27118.5°120.0°
C23C24C25120.4°120.0°
C24C23H23119.7°120.0°
S27C24C25121.1°120.0°
C24S27C30105.8°104.5°
C24S27O29111.2°104.3°
C24S27O28108.4°104.3°
C24C25C26119.2°120.0°
C24C25H25120.4°120.0°
C30S27O29112.2°110.5°
C30S27O28108.6°110.6°
S27C30H301109.5°109.5°
S27C30H302109.5°109.5°
S27C30H303109.5°109.5°
O29S27O28110.5°121.0°
C25C26H26119.8°120.0°
C26C25H25120.4°120.0°
H361C36H362109.5°109.5°
H361C36H363109.5°109.5°
H362C36H363109.4°109.5°
H351C35H352109.4°109.5°
H351C35H353109.5°109.4°
H352C35H353109.5°109.4°
H151C15H152109.4°109.4°
H151C15H153109.5°109.5°
H152C15H153109.5°109.4°
H201C20H202109.5°109.4°
H301C30H302109.4°109.4°
H301C30H303109.5°109.4°
H302C30H303109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C36C31O32C16178.9°179.8°
C36C31O32N33179.4°180.0°
C36C31C16C34179.2°179.9°
C36C31C16C10.0°0.0°
C31C36H361H362120.0°120.0°
C31C36H361H363120.0°119.9°
C31C36H362H363120.0°119.9°
C31O32N33C342.5°0.0°
O32C31C16C340.3°0.3°
O32C31C16C1178.9°179.8°
O32C31C36H3610.0°0.1°
O32C31C36H362120.0°120.0°
O32C31C36H363120.0°120.1°
C16C31O32N331.7°0.2°
C31C16C34N331.3°0.3°
C31C16C34C35179.9°179.9°
C31C16C34C1179.1°179.9°
C31C16C1C664.5°89.9°
C31C16C1C2113.4°89.8°
C16C31C36H361178.7°179.7°
C16C31C36H36258.7°60.2°
C16C31C36H36361.3°59.7°
O32N33C34C35178.9°180.0°
O32N33C34C162.3°0.2°
N33C34C35C16178.5°179.7°
N33C34C16C1179.6°179.8°
N33C34C35H3510.0°89.9°
N33C34C35H352120.0°150.0°
N33C34C35H353120.0°30.0°
C35C34C16C10.9°0.0°
C34C35H351H352120.0°120.0°
C34C35H351H353120.0°120.0°
C34C35H352H353120.0°120.0°
C34C16C1C6116.5°90.1°
C34C16C1C265.5°90.2°
C16C34C35H351178.5°89.8°
C16C34C35H35258.5°30.3°
C16C34C35H35361.5°150.3°
C16C1C6C2178.1°179.7°
C16C1C6C5176.7°180.0°
C16C1C2C151.8°0.0°
C16C1C2N3179.4°180.0°
C16C1C6H63.3°0.0°
C1C6C5H6180.0°180.0°
C6C1C2C15179.8°179.7°
C6C1C2N31.4°0.3°
C1C6C5C43.9°0.0°
C1C6C5C17177.3°179.9°
C2C1C6C51.4°0.3°
C1C2C15N3178.8°180.0°
C1C2N3C7179.7°180.0°
C1C2N3C41.6°0.0°
C2C1C6H6178.6°179.7°
C1C2C15H151180.0°85.3°
C1C2C15H15260.0°154.8°
C1C2C15H15360.0°34.8°
C6C5C4N33.5°0.3°
C6C5C4O14178.3°180.0°
C6C5C4C17173.0°180.0°
C6C5C17O194.6°6.3°
C6C5C17N18171.0°173.7°
C15C2N3C70.8°0.0°
C15C2N3C4179.5°180.0°
C2C15H151H152120.0°120.0°
C2C15H151H153120.0°120.1°
C2C15H152H153120.0°120.1°
C2N3C7C4178.7°179.9°
C2N3C7C1278.1°66.6°
C2N3C7C8104.2°113.7°
C2N3C4O14179.2°180.0°
C2N3C4C50.9°0.3°
N3C2C15H1511.2°94.8°
N3C2C15H152121.1°25.2°
N3C2C15H153118.9°145.2°
N3C7C12C8177.7°179.7°
N3C7C12C11179.9°180.0°
N3C7C8C9178.8°179.7°
C7N3C4O140.5°0.0°
C7N3C4C5177.9°179.7°
N3C7C12H120.1°0.1°
N3C7C8H81.2°0.1°
C4N3C7C12100.6°113.4°
C4N3C7C877.1°66.3°
N3C4O14C5178.2°179.7°
N3C4C5C17176.5°179.7°
C7C12C11H12180.0°179.9°
C7C12C11CL179.0°180.0°
C7C12C11C101.5°0.0°
C12C7C8C91.1°0.7°
C12C7C8H8178.9°179.7°
C8C7C12C112.2°0.3°
C7C8C9C100.7°0.7°
C7C8C9H8180.0°179.6°
C8C7C12H12177.8°179.7°
C7C8C9H9179.3°179.7°
C12C11CLC10177.6°180.0°
C12C11C10C90.3°0.0°
C12C11C10H10179.7°180.0°
CLC11C10C9177.2°180.0°
CLC11C12H121.0°0.1°
CLC11C10H102.8°0.0°
C11C10C9H10180.0°180.0°
C11C10C9C81.4°0.3°
C10C11C12H12178.5°179.9°
C11C10C9H9178.6°180.0°
C10C9C8H9180.0°179.7°
C10C9C8H8179.3°179.7°
C8C9C10H10178.6°179.7°
O14C4C5C175.3°0.0°
C4C5C17O19177.7°173.7°
C4C5C17N182.2°6.3°
C4C5C6H6176.1°180.0°
C5C17O19N18175.3°180.0°
C5C17N18C20174.5°174.9°
C17C5C6H62.7°0.0°
C5C17N18H185.5°5.2°
O19C17N18C201.0°5.1°
O19C17N18H18179.0°174.8°
C17N18C20H18180.0°179.9°
C17N18C20C2190.3°180.0°
C17N18C20H201148.4°60.0°
C17N18C20H20231.1°60.0°
N18C20C21H201121.4°120.0°
N18C20C21H202121.3°120.0°
N18C20C21C222.4°90.0°
N18C20C21C26177.5°90.3°
N18C20H201H202115.7°120.0°
C20C21C22C26180.0°179.8°
C20C21C22C23178.8°180.0°
C20C21C26C25179.2°179.8°
C21C20N18H1889.7°0.1°
C21C20H201H202115.7°120.0°
C20C21C22H221.2°0.0°
C20C21C26H260.8°0.0°
C21C22C23H22180.0°180.0°
C21C22C23C240.7°0.0°
C22C21C26C250.7°0.4°
C22C21C20H201123.8°30.0°
C22C21C20H202118.9°150.0°
C22C21C26H26179.3°179.7°
C21C22C23H23179.3°180.0°
C26C21C22C231.2°0.2°
C21C26C25C240.3°0.3°
C21C26C25H26180.0°179.8°
C26C21C20H20156.2°149.7°
C26C21C20H20261.2°29.8°
C26C21C22H22178.8°179.7°
C21C26C25H25179.7°179.7°
C22C23C24H23180.0°180.0°
C22C23C24S27179.7°180.0°
C22C23C24C250.3°0.1°
C23C24S27C25180.0°179.9°
C23C24S27C3045.2°90.0°
C23C24S27O29167.2°154.0°
C23C24S27O2871.1°26.1°
C23C24C25C260.8°0.1°
C24C23C22H22179.3°180.0°
C23C24C25H25179.2°180.0°
C24S27C30O29121.3°111.6°
C24S27C30O28116.2°111.6°
C24S27O29O28120.4°116.7°
S27C24C25C26179.2°179.9°
S27C24C23H230.3°0.0°
S27C24C25H250.8°0.1°
C24S27C30H301180.0°60.0°
C24S27C30H30260.0°180.0°
C24S27C30H30360.0°60.0°
C25C24S27C30134.8°89.9°
C25C24S27O2912.8°26.1°
C25C24S27O28108.9°154.0°
C24C25C26H25180.0°179.9°
C24C25C26H26179.7°179.8°
C25C24C23H23179.7°179.9°
C30S27O29O28121.4°131.5°
S27C30H301H302120.0°120.0°
S27C30H301H303120.0°120.0°
S27C30H302H303120.0°120.1°
O29S27C30H30158.6°51.6°
O29S27C30H30261.3°68.3°
O29S27C30H303178.6°171.6°
O28S27C30H30163.8°171.6°
O28S27C30H302176.2°68.4°
O28S27C30H30356.2°51.6°
H361C36H362H363120.0°120.1°
H351C35H352H353120.0°120.0°
H151C15H152H153120.0°120.0°
H8C8C9H90.7°0.1°
H10C10C9H91.4°0.0°
H18N18C20H20131.6°120.1°
H18N18C20H202148.9°120.0°
H22C22C23H230.7°0.0°
H26C26C25H250.3°0.1°
H301C30H302H303120.0°119.9°

248636

PDB entries from 2026-02-04

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