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952

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18C19doub1.38Å1.38ÅAromatic
C18C17sing1.38Å1.38ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
C17C16doub1.38Å1.38ÅAromatic
C20C15doub1.39Å1.38ÅAromatic
O2C22doub1.22Å1.23Å
C16C15sing1.39Å1.39ÅAromatic
C15Osing1.36Å1.40Å
N2C22sing1.35Å1.38Å
N2C21sing1.35Å1.37Å
C22C1sing1.42Å1.45Å
C12C13doub1.38Å1.38ÅAromatic
C12C11sing1.39Å1.38ÅAromatic
O1C21doub1.22Å1.22Å
OC11sing1.36Å1.40Å
C21Nsing1.35Å1.38Å
C13C14sing1.38Å1.38ÅAromatic
C11C10doub1.39Å1.39ÅAromatic
C1Csing1.51Å1.50Å
C1C2doub1.35Å1.34Å
NC2sing1.37Å1.38Å
NC3sing1.46Å1.48Å
C14C9doub1.38Å1.39ÅAromatic
C10C9sing1.38Å1.39ÅAromatic
C9C8sing1.51Å1.51Å
C3C7sing1.53Å1.51Å
C3C4sing1.53Å1.52Å
C7N1sing1.47Å1.47Å
N1C8sing1.47Å1.47Å
N1C6sing1.47Å1.47Å
C4C5sing1.53Å1.52Å
C6C5sing1.53Å1.51Å
CH2sing1.09Å1.10Å
CH1sing1.09Å1.10Å
CH3sing1.09Å1.10Å
N2H24sing0.97Å1.00Å
C2H4sing1.08Å1.08Å
C3Hsing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C8H14sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C14H18sing1.08Å1.08Å
C13H17sing1.08Å1.08Å
C12H16sing1.08Å1.08Å
C10H15sing1.08Å1.08Å
C20H23sing1.08Å1.08Å
C19H22sing1.08Å1.08Å
C18H21sing1.08Å1.08Å
C17H20sing1.08Å1.08Å
C16H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C18C17119.9°120.1°
C18C19C20120.4°120.0°
C18C19H22119.8°120.0°
C19C18H21120.0°120.0°
C18C17C16120.5°120.1°
C17C18H21120.0°119.9°
C18C17H20119.8°120.0°
C19C20C15119.4°120.0°
C19C20H23120.3°120.1°
C20C19H22119.8°120.0°
C17C16C15119.3°119.9°
C16C17H20119.8°120.0°
C17C16H19120.4°120.0°
C20C15C16120.5°119.9°
C20C15O118.4°120.1°
C15C20H23120.3°120.0°
O2C22N2119.9°120.3°
O2C22C1125.0°120.3°
C16C15O121.1°120.0°
C15C16H19120.4°120.0°
C15OC11120.3°118.0°
C22N2C21127.2°120.3°
N2C22C1115.1°119.4°
C22N2H24116.4°119.9°
N2C21O1122.2°119.6°
N2C21N114.7°120.9°
C21N2H24116.4°119.8°
C22C1C118.7°120.4°
C22C1C2118.2°119.1°
C13C12C11118.9°119.9°
C12C13C14120.5°120.1°
C12C13H17119.8°120.0°
C13C12H16120.6°120.1°
C12C11O120.3°120.1°
C12C11C10120.8°119.9°
C11C12H16120.5°120.0°
O1C21N123.1°119.6°
OC11C10118.8°120.1°
C21NC2121.4°120.6°
C21NC3118.2°119.7°
C13C14C9120.8°120.1°
C13C14H18119.6°120.0°
C14C13H17119.8°119.9°
C11C10C9120.1°119.9°
C11C10H15119.9°120.1°
CC1C2123.0°120.5°
C1CH2109.5°109.5°
C1CH1109.5°109.5°
C1CH3109.5°109.4°
C1C2N123.4°119.7°
C1C2H4118.3°120.2°
C2NC3120.4°119.7°
NC2H4118.3°120.2°
NC3C7108.3°109.5°
NC3C4111.4°109.5°
NC3H109.5°109.5°
C14C9C10118.8°120.1°
C14C9C8120.7°120.0°
C9C14H18119.6°119.9°
C10C9C8120.5°120.0°
C9C10H15119.9°120.0°
C9C8N1113.9°109.5°
C9C8H14108.4°109.5°
C9C8H13108.3°109.5°
C7C3C4109.6°109.3°
C3C7N1112.1°109.5°
C7C3H109.1°109.5°
C3C7H12108.8°109.5°
C3C7H11108.8°109.5°
C3C4C5109.4°109.1°
C4C3H108.9°109.6°
C3C4H6109.5°109.5°
C3C4H5109.5°109.5°
C7N1C8111.7°111.0°
C7N1C6110.4°111.2°
N1C7H12108.8°109.5°
N1C7H11108.8°109.4°
C8N1C6110.7°111.0°
N1C8H14108.3°109.5°
N1C8H13108.4°109.4°
N1C6C5112.2°109.5°
N1C6H9108.8°109.5°
N1C6H10108.8°109.5°
C4C5C6110.3°109.3°
C4C5H8109.3°109.5°
C4C5H7109.3°109.6°
C5C4H6109.5°109.5°
C5C4H5109.4°109.5°
C5C6H9108.8°109.4°
C5C6H10108.8°109.5°
C6C5H8109.2°109.5°
C6C5H7109.3°109.5°
H2CH1109.5°109.5°
H2CH3109.5°109.5°
H1CH3109.5°109.5°
H12C7H11109.5°109.4°
H9C6H10109.5°109.4°
H8C5H7109.5°109.5°
H6C4H5109.5°109.6°
H14C8H13109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C18C17H21180.0°180.0°
C18C19C20H22180.0°180.0°
C19C18C17C160.3°0.3°
C18C19C20C150.2°0.0°
C18C19C20H23179.8°180.0°
C19C18C17H20179.7°180.0°
C17C18C19C200.2°0.0°
C18C17C16H20180.0°179.7°
C18C17C16C150.1°0.6°
C17C18C19H22179.8°180.0°
C18C17C16H19179.9°180.0°
C19C20C15H23180.0°180.0°
C19C20C15C160.6°0.3°
C19C20C15O177.9°180.0°
C20C19C18H21179.8°179.9°
C17C16C15C200.5°0.6°
C17C16C15H19180.0°179.4°
C17C16C15O178.0°179.7°
C16C17C18H21179.7°179.7°
C20C15C16O178.5°179.7°
C20C15OC11154.8°90.0°
C15C20C19H22179.8°180.0°
C20C15C16H19179.5°180.0°
O2C22N2C1179.6°179.8°
O2C22N2C21179.6°180.0°
O2C22C1C0.6°0.1°
O2C22C1C2179.4°180.0°
O2C22N2H240.4°0.0°
C16C15OC1126.7°90.3°
C16C15C20H23179.4°179.7°
C15C16C17H20179.9°179.7°
C15OC11C1272.4°0.6°
C15OC11C10110.5°179.2°
OC15C20H232.1°0.0°
OC15C16H192.0°0.3°
C22N2C21H24180.0°180.0°
C22N2C21O1179.3°180.0°
C22N2C21N0.1°0.0°
N2C22C1C179.8°179.7°
N2C22C1C20.1°0.2°
C21N2C22C10.0°0.2°
N2C21O1N179.3°180.0°
N2C21NC20.0°0.3°
N2C21NC3179.1°180.0°
C22C1CC2179.9°179.9°
C22C1C2N0.2°0.1°
C22C1CH2180.0°0.1°
C22C1CH160.0°119.9°
C22C1CH360.0°120.1°
C1C22N2H24180.0°179.8°
C22C1C2H4179.8°180.0°
C13C12C11H16180.0°180.0°
C13C12C11O176.3°180.0°
C12C13C14H17180.0°180.0°
C13C12C11C100.8°0.3°
C12C13C14C90.3°0.0°
C12C13C14H18179.7°180.0°
C12C11OC10177.2°179.7°
C11C12C13C140.1°0.0°
C12C11C10C91.1°0.5°
C11C12C13H17179.9°180.0°
C12C11C10H15178.9°180.0°
O1C21NC2179.3°179.7°
O1C21NC30.3°0.0°
O1C21N2H240.7°0.0°
OC11C10C9176.1°179.8°
OC11C12H163.7°0.0°
OC11C10H153.9°0.2°
C21NC2C10.1°0.4°
C21NC2C3179.1°179.7°
C21NC3C7108.3°60.0°
C21NC3C4131.0°59.8°
NC21N2H24179.9°180.0°
C21NC2H4179.9°179.7°
C21NC3H10.5°179.9°
C13C14C9H18180.0°180.0°
C13C14C9C100.0°0.2°
C13C14C9C8179.1°180.0°
C14C13C12H16179.9°180.0°
C11C10C9C140.7°0.5°
C11C10C9H15180.0°179.5°
C11C10C9C8178.4°179.7°
C10C11C12H16179.2°179.7°
CC1C2N179.7°180.0°
C1CH2H1120.0°120.1°
C1CH2H3120.0°120.0°
C1CH1H3120.0°120.0°
CC1C2H40.3°0.1°
C1C2NH4180.0°179.9°
C1C2NC3178.9°180.0°
C2C1CH20.1°179.9°
C2C1CH1120.1°59.9°
C2C1CH3119.9°60.1°
C2NC3C770.7°120.3°
C2NC3C449.9°119.9°
C2NC3H170.4°0.2°
NC3C7C4121.7°119.9°
NC3C7H119.1°120.1°
NC3C4H120.9°120.1°
NC3C7N1180.0°179.1°
NC3C4C5176.2°177.6°
C3NC2H41.0°0.0°
NC3C7H1259.7°59.1°
NC3C7H1159.6°60.9°
NC3C4H663.8°62.5°
NC3C4H556.2°57.7°
C14C9C10C8179.1°179.8°
C14C9C8N1122.7°90.0°
C14C9C8H142.0°30.1°
C14C9C8H13116.7°150.1°
C9C14C13H17179.7°180.0°
C14C9C10H15179.3°180.0°
C10C9C8N158.3°90.3°
C10C9C8H14178.9°149.7°
C10C9C8H1362.4°29.7°
C10C9C14H18180.0°179.8°
C9C8N1C765.3°170.0°
C9C8N1H14120.6°120.0°
C9C8N1H13120.6°120.0°
C9C8N1C6171.3°65.8°
C9C8H14H13118.0°120.0°
C8C9C14H180.9°0.0°
C8C9C10H151.6°0.2°
C7C3C4H119.3°119.9°
C3C7N1H12120.4°120.1°
C3C7N1H11120.4°120.0°
C3C7N1C8178.5°174.2°
C3C7N1C657.9°61.7°
C7C3C4C556.3°57.7°
C3C7H12H11118.8°120.0°
C7C3C4H6176.3°177.5°
C7C3C4H563.6°62.2°
C4C3C7N158.3°59.2°
C3C4C5H6120.0°119.8°
C3C4C5H5120.0°119.9°
C3C4C5C655.7°57.7°
C4C3C7H1262.1°60.9°
C4C3C7H11178.7°179.2°
C3C4C5H864.5°177.6°
C3C4C5H7175.8°62.3°
C3C4H6H5120.0°120.2°
C7N1C8C6123.4°124.2°
C7N1C6C556.8°61.7°
N1C7C3H60.9°60.8°
N1C7H12H11118.8°119.9°
C7N1C6H963.6°58.3°
C7N1C6H10177.2°178.2°
C7N1C8H1455.3°70.0°
C7N1C8H13174.0°50.0°
C8N1C6C5179.0°174.2°
C8N1C7H1261.1°65.8°
C8N1C7H1158.1°54.1°
C8N1C6H960.6°65.9°
C8N1C6H1058.6°54.1°
N1C8H14H13118.0°119.9°
N1C6C5C456.4°59.2°
N1C6C5H9120.4°120.0°
N1C6C5H10120.4°120.0°
C6N1C7H1262.5°58.3°
C6N1C7H11178.3°178.2°
N1C6H9H10118.8°120.0°
N1C6C5H863.7°179.1°
N1C6C5H7176.6°60.9°
C6N1C8H1468.1°54.3°
C6N1C8H1350.6°174.2°
C4C5C6H8120.1°119.9°
C4C5C6H7120.1°120.0°
C5C4C3H63.0°62.3°
C4C5C6H964.0°60.8°
C4C5C6H10176.8°179.2°
C4C5H8H7119.6°120.1°
C5C4H6H5120.0°120.2°
C5C6H9H10118.8°120.0°
C6C5H8H7119.6°120.1°
C6C5C4H6175.6°177.5°
C6C5C4H564.3°62.2°
H2CH1H3120.0°120.0°
HC3C7H12178.7°179.2°
HC3C7H1159.5°59.2°
HC3C4H657.0°57.6°
HC3C4H5177.1°177.8°
H9C6C5H8175.9°59.1°
H9C6C5H756.2°179.2°
H10C6C5H856.7°60.9°
H10C6C5H763.0°59.2°
H8C5C4H655.5°62.6°
H8C5C4H5175.5°57.7°
H7C5C4H664.2°57.5°
H7C5C4H555.8°177.8°
H18C14C13H170.3°0.0°
H17C13C12H160.1°0.0°
H23C20C19H220.2°0.0°
H22C19C18H210.2°0.0°
H21C18C17H200.3°0.1°
H20C17C16H190.1°0.3°

226707

PDB entries from 2024-10-30

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