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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C11doub1.36Å1.36ÅAromatic
C12C13sing1.40Å1.41ÅAromatic
C17C13doub1.40Å1.42ÅAromatic
C17N2sing1.31Å1.34ÅAromatic
C11C10sing1.39Å1.39ÅAromatic
C13C14sing1.42Å1.42ÅAromatic
N2C16doub1.33Å1.35ÅAromatic
C10C9doub1.36Å1.37ÅAromatic
C16C15sing1.36Å1.37ÅAromatic
C14C9sing1.40Å1.43ÅAromatic
C14C15doub1.41Å1.42ÅAromatic
C9Ssing1.76Å1.77Å
SOdoub1.42Å1.44Å
SO1doub1.42Å1.43Å
SN1sing1.66Å1.62Å
C8C7sing1.53Å1.51Å
C8N1sing1.47Å1.47Å
C7C6sing1.53Å1.53Å
C19C18doub1.38Å1.38ÅAromatic
C19C20sing1.39Å1.39ÅAromatic
C18C2sing1.38Å1.39ÅAromatic
C24C23doub1.38Å1.38ÅAromatic
C24C25sing1.38Å1.38ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C5C6sing1.53Å1.54Å
C5C4sing1.53Å1.51Å
C25C26doub1.38Å1.39ÅAromatic
C22C21doub1.39Å1.40ÅAromatic
C26C21sing1.39Å1.40ÅAromatic
C21C20sing1.48Å1.49Å
C20Cdoub1.39Å1.42ÅAromatic
NC4sing1.47Å1.47Å
NC3sing1.47Å1.47Å
C2C3sing1.51Å1.51Å
C2C1doub1.38Å1.38ÅAromatic
CC1sing1.38Å1.38ÅAromatic
CCLsing1.74Å1.74Å
C22H1sing1.08Å1.08Å
C23H2sing1.08Å1.08Å
C24H3sing1.08Å1.08Å
C25H4sing1.08Å1.08Å
C26H5sing1.08Å1.08Å
C11H6sing1.08Å1.08Å
C10H7sing1.08Å1.08Å
C12H8sing1.08Å1.08Å
C15H9sing1.08Å1.08Å
C16H10sing1.08Å1.08Å
C17H11sing1.08Å1.08Å
C18H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
N1H14sing0.97Å1.00Å
C8H15sing1.09Å1.10Å
C8H16sing1.09Å1.10Å
C7H17sing1.09Å1.10Å
C7H18sing1.09Å1.10Å
C6H19sing1.09Å1.10Å
C6H20sing1.09Å1.10Å
C5H21sing1.09Å1.10Å
C5H22sing1.09Å1.10Å
C4H23sing1.09Å1.10Å
C4H24sing1.09Å1.10Å
NH25sing1.01Å1.00Å
C3H27sing1.09Å1.10Å
C3H28sing1.09Å1.10Å
C1H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C12C13120.6°119.5°
C12C11C10120.9°121.1°
C12C11H6119.5°119.5°
C11C12H8119.7°120.3°
C12C13C17123.3°122.1°
C12C13C14119.4°119.4°
C13C12H8119.7°120.2°
C13C17N2123.8°119.9°
C17C13C14117.3°118.5°
C13C17H11118.1°120.1°
C17N2C16117.7°122.7°
N2C17H11118.1°120.0°
C11C10C9120.3°121.1°
C10C11H6119.6°119.4°
C11C10H7119.9°119.5°
C13C14C9117.5°119.5°
C13C14C15117.8°118.2°
N2C16C15124.2°121.9°
N2C16H10117.9°119.0°
C10C9C14121.2°119.5°
C10C9S117.4°120.3°
C9C10H7119.8°119.5°
C16C15C14119.1°118.7°
C16C15H9120.4°120.7°
C15C16H10117.9°119.1°
C9C14C15124.6°122.2°
C14C9S121.1°120.2°
C14C15H9120.5°120.6°
C9SO109.1°106.4°
C9SO1104.0°106.4°
C9SN1111.4°107.2°
OSO1119.9°123.2°
OSN1106.5°106.4°
O1SN1105.9°106.4°
SN1C8124.7°120.0°
SN1H14105.5°120.0°
C7C8N1109.3°109.5°
C8C7C6113.3°109.5°
C7C8H15109.5°109.5°
C7C8H16109.5°109.5°
C8C7H17108.5°109.5°
C8C7H18108.5°109.5°
C8N1H14105.5°120.0°
N1C8H15109.5°109.5°
N1C8H16109.5°109.5°
C7C6C5115.6°109.5°
C6C7H17108.5°109.5°
C6C7H18108.5°109.5°
C7C6H19107.9°109.5°
C7C6H20107.9°109.5°
C18C19C20120.7°119.9°
C19C18C2121.5°120.2°
C19C18H12119.3°120.0°
C18C19H13119.6°120.1°
C19C20C21115.5°120.1°
C19C20C117.1°119.8°
C20C19H13119.7°120.1°
C18C2C3121.8°119.9°
C18C2C1118.5°120.2°
C2C18H12119.3°119.9°
C23C24C25119.7°120.3°
C24C23C22120.3°120.1°
C24C23H2119.9°119.9°
C23C24H3120.1°119.9°
C24C25C26120.3°120.1°
C25C24H3120.1°119.9°
C24C25H4119.9°119.9°
C23C22C21120.9°119.9°
C23C22H1119.6°120.0°
C22C23H2119.8°120.0°
C6C5C4113.7°109.5°
C5C6H19107.9°109.5°
C5C6H20107.9°109.4°
C6C5H21108.4°109.5°
C6C5H22108.4°109.5°
C5C4N113.3°109.5°
C4C5H21108.4°109.5°
C4C5H22108.4°109.4°
C5C4H23108.5°109.5°
C5C4H24108.5°109.5°
C25C26C21120.7°119.9°
C26C25H4119.8°120.0°
C25C26H5119.7°120.0°
C22C21C26118.1°119.8°
C22C21C20120.8°120.1°
C21C22H1119.6°120.1°
C26C21C20121.0°120.1°
C21C26H5119.6°120.1°
C21C20C127.3°120.1°
C20CC1121.7°119.8°
C20CCL122.9°120.1°
C4NC3111.6°111.0°
NC4H23108.5°109.5°
NC4H24108.5°109.4°
C4NH25108.9°111.0°
NC3C2114.7°109.4°
C3NH25108.9°111.0°
NC3H27108.1°109.4°
NC3H28108.1°109.5°
C3C2C1119.3°119.9°
C2C3H27108.1°109.5°
C2C3H28108.2°109.5°
C2C1C120.4°120.1°
C2C1H29119.8°119.9°
C1CCL115.5°120.1°
CC1H29119.8°120.0°
H15C8H16109.5°109.4°
H17C7H18109.5°109.4°
H19C6H20109.5°109.5°
H21C5H22109.5°109.5°
H23C4H24109.5°109.5°
H27C3H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C12C13H8180.0°179.9°
C11C12C13C17177.7°180.0°
C12C11C10H6180.0°179.8°
C11C12C13C140.3°0.1°
C12C11C10C90.7°0.2°
C12C11C10H7179.3°179.7°
C12C13C17C14178.1°179.9°
C12C13C17N2178.2°179.9°
C13C12C11C100.2°0.1°
C12C13C14C90.9°0.2°
C12C13C14C15178.8°179.9°
C13C12C11H6179.8°179.7°
C12C13C17H111.8°0.1°
C13C17N2H11180.0°179.9°
C13C17N2C160.1°0.0°
C17C13C14C9177.2°179.7°
C17C13C14C150.6°0.0°
C17C13C12H82.2°0.1°
N2C17C13C140.1°0.1°
C17N2C16C150.3°0.0°
C17N2C16H10179.7°180.0°
C11C10C9H7180.0°179.9°
C11C10C9C141.4°0.5°
C11C10C9S172.2°180.0°
C10C11C12H8179.9°180.0°
C13C14C9C101.5°0.5°
C13C14C15C161.0°0.0°
C13C14C9C15177.7°179.7°
C13C14C9S171.9°180.0°
C14C13C12H8179.7°180.0°
C13C14C15H9179.0°180.0°
C14C13C17H11179.9°180.0°
N2C16C15H10180.0°180.0°
N2C16C15C140.8°0.0°
N2C16C15H9179.2°180.0°
C16N2C17H11179.9°180.0°
C10C9C14S173.4°179.5°
C10C9C14C15179.2°179.8°
C10C9SO22.4°130.5°
C10C9SO1151.4°2.5°
C10C9SN194.9°116.0°
C9C10C11H6179.3°180.0°
C16C15C14C9176.7°179.7°
C16C15C14H9180.0°180.0°
C14C9SO151.2°49.0°
C14C9SO122.2°178.0°
C14C9SN191.5°64.5°
C14C9C10H7178.6°179.4°
C9C14C15H93.3°0.3°
C15C14C9S5.8°0.3°
C14C15C16H10179.2°180.0°
C9SOO1119.6°123.0°
C9SON1120.4°114.1°
C9SO1N1117.5°114.1°
C9SN1C832.7°63.6°
SC9C10H77.8°0.1°
C9SN1H14154.7°116.5°
OSO1N1120.3°122.9°
OSN1C886.3°177.2°
OSN1H1435.8°2.9°
O1SN1C8145.1°49.9°
O1SN1H1492.8°130.0°
SN1C8C7131.5°163.2°
SN1C8H14122.1°180.0°
SN1C8H15108.5°76.8°
SN1C8H1611.6°43.2°
C7C8N1H15120.0°120.0°
C7C8N1H16120.0°120.1°
C8C7C6H17120.6°120.0°
C8C7C6H18120.6°120.0°
C8C7C6C5111.5°180.0°
C7C8N1H14106.4°16.7°
C7C8H15H16120.1°120.0°
C8C7H17H18118.3°120.0°
C8C7C6H199.3°60.0°
C8C7C6H20127.6°60.0°
N1C8C7C691.1°180.0°
N1C8H15H16120.1°120.0°
N1C8C7H1729.5°60.0°
N1C8C7H18148.4°59.9°
C7C6C5H19120.9°120.0°
C7C6C5H20120.9°120.0°
C7C6C5C4139.4°180.0°
C6C7C8H1528.9°60.0°
C6C7C8H16149.0°60.0°
C6C7H17H18118.2°120.0°
C7C6H19H20117.2°120.0°
C7C6C5H2118.7°60.0°
C7C6C5H22100.0°60.0°
C18C19C20H13180.0°180.0°
C19C18C2H12180.0°179.7°
C18C19C20C21173.4°179.7°
C18C19C20C2.5°0.0°
C19C18C2C3170.3°179.8°
C19C18C2C13.3°0.3°
C20C19C18C20.5°0.0°
C19C20C21C2288.0°49.7°
C19C20C21C2688.9°130.0°
C19C20C21C175.4°179.7°
C19C20CC12.9°0.3°
C19C20CCL176.4°179.7°
C20C19C18H12179.5°179.7°
C18C2C3N73.6°90.0°
C18C2C3C1173.5°180.0°
C18C2C1C2.9°0.6°
C2C18C19H13179.5°180.0°
C18C2C3H27165.7°29.9°
C18C2C3H2847.2°150.0°
C18C2C1H29177.1°180.0°
C23C24C25H3180.0°179.9°
C24C23C22H2180.0°179.9°
C23C24C25C260.1°0.4°
C24C23C22C210.5°0.0°
C24C23C22H1179.5°180.0°
C23C24C25H4179.9°179.9°
C25C24C23C220.5°0.1°
C24C25C26H4180.0°179.7°
C24C25C26C210.4°0.6°
C25C24C23H2179.5°179.9°
C24C25C26H5179.6°179.9°
C23C22C21H1180.0°179.9°
C23C22C21C260.0°0.3°
C23C22C21C20177.0°180.0°
C22C23C24H3179.5°180.0°
C6C5C4H21120.6°120.0°
C6C5C4H22120.6°120.0°
C6C5C4N171.1°180.0°
C5C6C7H17127.9°59.9°
C5C6C7H189.0°60.0°
C5C6H19H20117.2°120.0°
C6C5H21H22118.1°120.0°
C6C5C4H2368.3°60.0°
C6C5C4H2450.5°60.1°
C5C4NH23120.6°120.0°
C5C4NH24120.6°120.0°
C5C4NC3142.0°180.0°
C4C5C6H1999.8°60.0°
C4C5C6H2018.5°60.0°
C4C5H21H22118.1°120.0°
C5C4H23H24118.2°120.0°
C5C4NH2521.7°56.1°
C25C26C21C220.4°0.5°
C25C26C21H5180.0°179.5°
C25C26C21C20176.6°179.7°
C26C25C24H3179.9°179.7°
C22C21C26C20177.0°179.7°
C22C21C20C87.4°130.0°
C21C22C23H2179.6°180.0°
C22C21C26H5179.6°180.0°
C26C21C20C95.7°50.3°
C26C21C22H1180.0°179.8°
C21C26C25H4179.6°179.7°
C21C20CC1172.4°180.0°
C21C20CCL8.2°0.0°
C20C21C22H13.0°0.1°
C20C21C26H53.4°0.2°
C21C20C19H136.6°0.3°
C20CC1C20.2°0.6°
C20CC1CL179.4°180.0°
CC20C19H13177.5°180.0°
C20CC1H29179.8°180.0°
C4NC3H25120.3°123.9°
C4NC3C2176.6°180.0°
NC4C5H2150.5°60.0°
NC4C5H2268.3°60.0°
NC4H23H24118.3°120.0°
C4NC3H2755.9°60.0°
C4NC3H2862.6°60.0°
NC3C2H27120.7°119.9°
NC3C2H28120.8°120.0°
NC3C2C1112.9°90.0°
C3NC4H2397.5°60.0°
C3NC4H2421.4°60.0°
NC3H27H28117.6°120.0°
C3C2C1C170.8°179.5°
C3C2C18H129.7°0.0°
C2C3NH2563.1°56.1°
C2C3H27H28117.6°120.1°
C3C2C1H299.2°0.0°
C2C1CH29180.0°179.5°
C2C1CCL179.2°179.4°
C1C2C18H12176.7°180.0°
C1C2C3H277.8°150.1°
C1C2C3H28126.3°30.0°
CLCC1H290.8°0.0°
H1C22C23H20.5°0.1°
H2C23C24H30.5°0.0°
H3C24C25H40.1°0.0°
H4C25C26H50.4°0.2°
H6C11C10H70.7°0.1°
H6C11C12H80.1°0.2°
H9C15C16H100.8°0.0°
H12C18C19H130.5°0.3°
H14N1C8H1513.6°103.3°
H14N1C8H16133.6°136.8°
H15C8C7H17149.4°180.0°
H15C8C7H1891.7°60.0°
H16C8C7H1790.5°60.1°
H16C8C7H1828.4°180.0°
H17C7C6H19111.2°179.9°
H17C7C6H207.0°60.0°
H18C7C6H19129.9°60.0°
H18C7C6H20111.8°179.9°
H19C6C5H21139.6°180.0°
H19C6C5H2220.9°60.0°
H20C6C5H21102.2°60.0°
H20C6C5H22139.1°180.0°
H21C5C4H23171.0°180.0°
H21C5C4H2470.1°59.9°
H22C5C4H2352.3°60.0°
H22C5C4H24171.2°179.9°
H23C4NH25142.2°176.1°
H24C4NH2598.9°63.9°
H25NC3H27176.2°176.0°
H25NC3H2857.7°63.9°

250359

PDB entries from 2026-03-11

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