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KN9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C27sing1.43Å1.19Å
C27C18sing1.53Å1.52Å
C18N2sing1.46Å1.45Å
C1N1sing1.47Å1.45Å
N1C2sing1.47Å1.45Å
N1C11sing1.47Å1.46Å
C2C3sing1.51Å1.52Å
N2C17sing1.40Å1.45Å
N2Ssing1.66Å1.70Å
C3C4doub1.33Å1.52Å
C16C17doub1.39Å1.39ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C17C12sing1.39Å1.39ÅAromatic
C15C14doub1.38Å1.38ÅAromatic
O2Sdoub1.42Å1.65Å
C12C11sing1.51Å1.53Å
C12C13doub1.38Å1.38ÅAromatic
C6C7doub1.38Å1.39ÅAromatic
C6C5sing1.39Å1.38ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C24C23doub1.38Å1.39ÅAromatic
C24C19sing1.38Å1.38ÅAromatic
C4C5sing1.48Å1.53Å
SC19sing1.76Å1.82Å
SO3doub1.42Å1.65Å
C7C8sing1.39Å1.39ÅAromatic
C23C22sing1.39Å1.38ÅAromatic
C5C10doub1.40Å1.39ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C26O25sing1.43Å1.40Å
C8CLsing1.74Å1.79Å
C8C9doub1.38Å1.39ÅAromatic
C22O25sing1.36Å1.40Å
C22C21doub1.39Å1.38ÅAromatic
C10C9sing1.38Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C10H4sing1.08Å1.08Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C13H7sing1.08Å1.08Å
C14H8sing1.08Å1.08Å
C15H9sing1.08Å1.08Å
C16H10sing1.08Å1.08Å
C18H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C2H13sing1.09Å1.10Å
C2H14sing1.09Å1.10Å
C20H15sing1.08Å1.08Å
C21H16sing1.08Å1.08Å
C23H17sing1.08Å1.08Å
C24H18sing1.08Å1.08Å
C26H19sing1.09Å1.10Å
C26H20sing1.09Å1.10Å
C26H21sing1.09Å1.10Å
C27H22sing1.09Å1.10Å
C3H23sing1.08Å1.08Å
C4H25sing1.08Å1.08Å
C6H27sing1.08Å1.08Å
C7H28sing1.08Å1.08Å
C9H29sing1.08Å1.08Å
C27H24sing1.09Å1.10Å
O1H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C27C18118.4°109.5°
O1C27H22107.2°109.5°
O1C27H24107.2°109.5°
C27O1H26109.5°114.0°
C27C18N2111.4°109.5°
C27C18H11109.0°109.5°
C27C18H12109.0°109.5°
C18C27H22107.2°109.5°
C18C27H24107.2°109.5°
C18N2C17123.2°120.0°
C18N2S119.8°120.0°
N2C18H11109.0°109.4°
N2C18H12109.0°109.5°
C1N1C2107.6°111.0°
C1N1C11111.2°111.0°
N1C1H1109.5°109.5°
N1C1H2109.5°109.5°
N1C1H3109.5°109.5°
C2N1C11109.7°111.0°
N1C2C3110.0°109.5°
N1C2H13109.3°109.5°
N1C2H14109.3°109.5°
N1C11C12111.4°109.5°
N1C11H5109.0°109.5°
N1C11H6109.0°109.5°
C2C3C4107.5°120.0°
C3C2H13109.3°109.4°
C3C2H14109.4°109.4°
C2C3H23126.2°119.9°
C17N2S116.9°120.0°
N2C17C16117.5°120.1°
N2C17C12122.5°120.1°
N2SO2108.4°106.4°
N2SC19107.6°107.2°
N2SO3109.8°106.4°
C3C4C5110.0°120.0°
C4C3H23126.3°120.1°
C3C4H25125.0°120.0°
C17C16C15120.3°119.9°
C16C17C12120.0°119.8°
C17C16H10119.8°120.1°
C16C15C14119.5°120.1°
C16C15H9120.3°120.0°
C15C16H10119.8°120.0°
C17C12C11121.5°120.0°
C17C12C13119.2°119.9°
C15C14C13120.6°120.1°
C15C14H8119.7°119.9°
C14C15H9120.2°120.0°
O2SC19113.6°106.4°
O2SO3110.2°123.2°
C11C12C13119.3°120.1°
C12C11H5109.0°109.5°
C12C11H6109.0°109.5°
C12C13C14120.3°120.1°
C12C13H7119.8°120.0°
C7C6C5119.5°119.9°
C6C7C8120.6°120.1°
C7C6H27120.2°120.0°
C6C7H28119.7°120.0°
C6C5C4120.3°120.1°
C6C5C10119.9°119.8°
C5C6H27120.2°120.1°
C14C13H7119.8°119.9°
C13C14H8119.7°120.0°
C23C24C19120.9°120.1°
C24C23C22120.1°119.9°
C24C23H17119.9°120.0°
C23C24H18119.5°120.0°
C24C19S121.8°119.9°
C24C19C20119.0°120.1°
C19C24H18119.6°120.0°
C4C5C10119.9°120.1°
C5C4H25125.0°120.0°
C19SO3107.2°106.4°
SC19C20119.2°119.9°
C7C8CL119.2°119.9°
C7C8C9119.9°120.2°
C8C7H28119.7°119.9°
C23C22O25120.6°120.1°
C23C22C21119.3°119.9°
C22C23H17120.0°120.0°
C5C10C9120.9°119.8°
C5C10H4119.6°120.1°
C19C20C21120.0°120.0°
C19C20H15120.0°120.0°
C26O25C22115.7°117.0°
O25C26H19109.5°109.5°
O25C26H20109.5°109.4°
O25C26H21109.5°109.5°
CLC8C9120.9°119.9°
C8C9C10119.1°120.2°
C8C9H29120.5°119.9°
O25C22C21120.0°120.0°
C22C21C20120.6°119.9°
C22C21H16119.7°120.0°
C9C10H4119.5°120.1°
C10C9H29120.5°119.9°
C21C20H15120.0°120.0°
C20C21H16119.7°120.0°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.4°109.4°
H5C11H6109.5°109.5°
H11C18H12109.5°109.5°
H13C2H14109.5°109.5°
H19C26H20109.5°109.5°
H19C26H21109.5°109.5°
H20C26H21109.4°109.4°
H22C27H24109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C27C18H22121.2°120.0°
O1C27C18H24121.3°120.0°
O1C27C18N2106.2°65.0°
O1C27C18H11133.5°175.0°
O1C27C18H1214.1°55.0°
O1C27H22H24116.0°120.0°
C27C18N2H11120.3°120.0°
C27C18N2H12120.3°120.0°
C27C18N2C1721.3°85.0°
C27C18N2S161.6°95.0°
C27C18H11H12119.1°120.0°
C18C27H22H24115.9°120.0°
C18C27O1H26180.0°180.0°
C18N2C17S177.2°179.9°
C18N2C17C1684.2°87.9°
C18N2C17C1297.9°92.5°
C18N2SO217.8°31.1°
C18N2SC19105.5°82.4°
C18N2SO3138.2°164.0°
N2C18H11H12119.1°120.0°
N2C18C27H2215.0°175.0°
N2C18C27H24132.5°55.0°
C1N1C2C11121.0°124.0°
C1N1C2C3170.4°66.0°
C1N1C11C1271.5°66.0°
N1C1H1H2120.0°120.0°
N1C1H1H3120.0°120.0°
N1C1H2H3120.0°120.0°
C1N1C11H5168.2°53.9°
C1N1C11H648.8°173.9°
C1N1C2H1350.3°174.0°
C1N1C2H1469.5°54.0°
N1C2C3H13120.0°120.0°
N1C2C3H14120.1°120.0°
N1C2C3C4133.2°125.0°
C2N1C11C12169.7°170.0°
C2N1C1H1180.0°60.0°
C2N1C1H260.0°180.0°
C2N1C1H360.0°60.0°
C2N1C11H549.4°70.0°
C2N1C11H670.1°50.0°
N1C2H13H14119.8°120.0°
N1C2C3H2346.8°55.0°
C11N1C2C368.6°170.0°
N1C11C12C1777.3°77.0°
N1C11C12H5120.3°120.0°
N1C11C12H6120.3°120.0°
N1C11C12C13102.7°102.7°
C11N1C1H159.9°176.0°
C11N1C1H260.2°56.0°
C11N1C1H3179.9°64.0°
N1C11H5H6119.1°120.0°
C11N1C2H13171.4°50.0°
C11N1C2H1451.5°70.0°
C2C3C4H23180.0°180.0°
C2C3C4C5173.9°180.0°
C3C2H13H14119.8°120.0°
C2C3C4H256.1°0.0°
N2C17C16C12178.0°179.6°
N2C17C16C15178.9°180.0°
C17N2SO2164.9°148.8°
N2C17C12C111.5°0.2°
N2C17C12C13178.5°179.9°
C17N2SC1971.8°97.6°
C17N2SO344.5°15.9°
N2C17C16H101.0°0.4°
C17N2C18H1199.0°155.0°
C17N2C18H12141.6°35.0°
SN2C17C1693.0°92.0°
SN2C17C1284.9°87.5°
N2SO2C19119.6°114.1°
N2SO2O3120.2°122.9°
N2SC19C2477.8°82.7°
N2SC19O3118.0°113.5°
N2SC19C20101.1°97.6°
SN2C18H1178.1°25.0°
SN2C18H1241.3°145.0°
C3C4C5C69.7°0.0°
C3C4C5H25180.0°180.0°
C3C4C5C10170.7°180.0°
C4C3C2H13106.7°115.0°
C4C3C2H1413.1°5.0°
C17C16C15H10180.0°179.5°
C17C16C15C140.6°0.2°
C16C17C12C11179.4°179.8°
C16C17C12C130.6°0.5°
C17C16C15H9179.4°179.8°
C15C16C17C121.0°0.4°
C16C15C14H9180.0°180.0°
C16C15C14C130.2°0.0°
C16C15C14H8179.9°180.0°
C17C12C11C13180.0°179.8°
C17C12C13C140.1°0.3°
C17C12C11H543.0°163.0°
C17C12C11H6162.4°43.0°
C17C12C13H7179.9°179.8°
C12C17C16H10179.0°180.0°
C15C14C13C120.5°0.0°
C15C14C13H8180.0°180.0°
C15C14C13H7179.5°180.0°
C14C15C16H10179.4°179.7°
O2SC19C2442.3°30.9°
O2SC19O3121.9°132.9°
O2SC19C20138.9°148.9°
C11C12C13C14179.9°180.0°
C12C11H5H6119.1°120.0°
C11C12C13H70.1°0.0°
C12C13C14H7180.0°179.9°
C13C12C11H5137.0°17.3°
C13C12C11H617.6°137.2°
C12C13C14H8179.5°180.0°
C7C6C5H27180.0°180.0°
C7C6C5C4179.9°179.9°
C6C7C8H28180.0°179.9°
C7C6C5C100.3°0.0°
C6C7C8CL179.8°180.0°
C6C7C8C90.0°0.0°
C6C5C4C10179.6°180.0°
C5C6C7C80.2°0.1°
C6C5C10C90.3°0.0°
C6C5C10H4179.7°179.7°
C6C5C4H25170.2°180.0°
C5C6C7H28179.8°180.0°
C13C14C15H9179.8°180.0°
C23C24C19H18180.0°179.9°
C23C24C19S179.7°179.7°
C24C23C22H17180.0°179.9°
C23C24C19C200.8°0.1°
C24C23C22O25179.9°180.0°
C24C23C22C210.7°0.1°
C24C19SC20178.8°179.7°
C24C19SO3164.2°163.8°
C19C24C23C221.0°0.1°
C24C19C20C210.5°0.0°
C24C19C20H15179.5°179.9°
C19C24C23H17179.0°180.0°
C4C5C10C9179.9°180.0°
C4C5C10H40.1°0.2°
C5C4C3H236.1°0.0°
C4C5C6H270.1°0.0°
SC19C20C21179.4°179.7°
SC19C20H150.7°0.3°
SC19C24H180.3°0.2°
O3SC19C2017.0°15.9°
C7C8CLC9179.9°180.0°
C7C8C9C100.0°0.0°
C8C7C6H27179.8°180.0°
C7C8C9H29180.0°179.7°
C23C22O25C2614.0°0.0°
C23C22O25C21179.1°180.0°
C23C22C21C200.4°0.0°
C23C22C21H16179.6°180.0°
C22C23C24H18179.1°180.0°
C5C10C9C80.2°0.0°
C5C10C9H4180.0°179.8°
C10C5C4H259.3°0.0°
C10C5C6H27179.7°180.0°
C5C10C9H29179.8°179.7°
C19C20C21C220.3°0.0°
C19C20C21H15180.0°179.9°
C19C20C21H16179.7°180.0°
C20C19C24H18179.2°180.0°
C26O25C22C21166.8°180.0°
O25C26H19H20120.0°120.0°
O25C26H19H21120.0°120.0°
O25C26H20H21120.0°119.9°
CLC8C9C10179.8°180.0°
CLC8C7H280.1°0.1°
CLC8C9H290.1°0.2°
C8C9C10H29180.0°179.7°
C8C9C10H4179.8°179.7°
C9C8C7H28180.0°180.0°
O25C22C21C20179.5°180.0°
O25C22C21H160.4°0.0°
O25C22C23H170.1°0.0°
C22O25C26H19180.0°180.0°
C22O25C26H2060.0°60.0°
C22O25C26H2160.0°59.9°
C22C21C20H16180.0°180.0°
C22C21C20H15179.7°179.9°
C21C22C23H17179.3°180.0°
H1C1H2H3120.0°120.0°
H4C10C9H290.2°0.0°
H7C13C14H80.5°0.1°
H8C14C15H90.1°0.0°
H9C15C16H100.6°0.3°
H11C18C27H22105.3°55.0°
H11C18C27H2412.2°65.0°
H12C18C27H22135.3°65.0°
H12C18C27H24107.2°175.0°
H13C2C3H2373.2°65.1°
H14C2C3H23166.9°175.0°
H15C20C21H160.3°0.1°
H17C23C24H180.9°0.1°
H19C26H20H21120.0°120.1°
H22C27O1H2658.7°60.0°
H23C3C4H25173.8°180.0°
H27C6C7H280.1°0.0°
H24C27O1H2658.7°60.0°

227344

PDB entries from 2024-11-13

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