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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C19doub1.36Å1.35ÅAromatic
C20C14sing1.41Å1.40ÅAromatic
C13C14doub1.41Å1.40ÅAromatic
C13C12sing1.36Å1.36ÅAromatic
C19C18sing1.40Å1.39ÅAromatic
C14C15sing1.42Å1.42ÅAromatic
C12C11doub1.40Å1.39ÅAromatic
C18Osing1.36Å1.37Å
C18C17doub1.37Å1.37ÅAromatic
C15C17sing1.41Å1.41ÅAromatic
C15C16doub1.40Å1.42ÅAromatic
OC21sing1.43Å1.43Å
C11C16sing1.38Å1.38ÅAromatic
C11C4sing1.48Å1.48Å
C22C21sing1.53Å1.53Å
N5Csing1.38Å1.33Å
C4C3sing1.46Å1.39ÅAromatic
C4N2doub1.31Å1.32ÅAromatic
CC3doub1.40Å1.41ÅAromatic
CNsing1.33Å1.35ÅAromatic
C3C2sing1.41Å1.39ÅAromatic
N2N3sing1.40Å1.38ÅAromatic
NC1doub1.32Å1.34ÅAromatic
C5N3sing1.47Å1.45Å
C5C6sing1.53Å1.47Å
C2N3sing1.36Å1.35ÅAromatic
C2N1doub1.33Å1.34ÅAromatic
C1N1sing1.32Å1.33ÅAromatic
C6C10sing1.53Å1.53Å
C6C7sing1.53Å1.52Å
C10C9sing1.53Å1.51Å
C7C8sing1.53Å1.52Å
C9N4sing1.47Å1.47Å
N4C8sing1.47Å1.47Å
N5H1sing0.97Å1.00Å
N5H2sing0.97Å1.00Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
N4H10sing1.01Å1.00Å
C8H12sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C7H14sing1.09Å1.10Å
C7H15sing1.09Å1.10Å
C1H16sing1.08Å1.08Å
C16H17sing1.08Å1.08Å
C17H18sing1.08Å1.08Å
C21H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C19H24sing1.08Å1.08Å
C20H25sing1.08Å1.08Å
C13H26sing1.08Å1.08Å
C12H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C20C14120.8°119.8°
C20C19C18120.5°121.0°
C20C19H24119.7°119.5°
C19C20H25119.6°120.1°
C20C14C13121.7°121.0°
C20C14C15119.4°119.4°
C14C20H25119.6°120.1°
C14C13C12121.0°120.0°
C13C14C15118.9°119.7°
C14C13H26119.5°120.0°
C13C12C11121.3°120.9°
C12C13H26119.5°120.0°
C13C12H27119.4°119.6°
C19C18O119.1°119.6°
C19C18C17121.0°120.8°
C18C19H24119.8°119.5°
C14C15C17118.7°119.4°
C14C15C16118.5°119.5°
C12C11C16119.6°120.6°
C12C11C4118.9°119.7°
C11C12H27119.4°119.6°
OC18C17119.9°119.6°
C18OC21117.8°117.0°
C18C17C15119.7°119.6°
C18C17H18120.2°120.2°
C17C15C16122.8°121.1°
C15C17H18120.1°120.2°
C15C16C11120.7°119.5°
C15C16H17119.7°120.2°
OC21C22108.2°109.5°
OC21H19109.8°109.5°
OC21H20109.8°109.5°
C16C11C4121.4°119.7°
C11C16H17119.6°120.3°
C11C4C3124.4°126.3°
C11C4N2121.2°126.3°
C22C21H19109.8°109.5°
C22C21H20109.8°109.4°
C21C22H21109.5°109.4°
C21C22H22109.4°109.5°
C21C22H23109.5°109.4°
N5CC3123.1°120.9°
N5CN118.5°120.8°
CN5H1109.5°120.0°
CN5H2109.5°120.0°
C3C4N2112.6°107.4°
C4C3C139.1°135.0°
C4C3C2104.4°106.4°
C4N2N3104.7°109.9°
C3CN118.4°118.3°
CC3C2116.4°118.6°
CNC1118.6°121.1°
C3C2N3107.2°106.9°
C3C2N1125.9°118.7°
N2N3C5120.0°125.3°
N2N3C2110.9°109.4°
NC1N1128.7°122.7°
NC1H16115.7°118.7°
N3C5C6119.8°109.5°
C5N3C2127.1°125.3°
N3C5H3106.8°109.4°
N3C5H4106.9°109.5°
C5C6C10109.8°109.5°
C5C6C7110.2°109.5°
C6C5H3106.8°109.5°
C6C5H4106.8°109.5°
C5C6H5109.6°109.5°
N3C2N1126.9°134.4°
C2N1C1112.0°120.6°
N1C1H16115.6°118.6°
C10C6C7109.7°109.2°
C6C10C9110.9°109.2°
C10C6H5108.7°109.6°
C6C10H6109.1°109.5°
C6C10H7109.1°109.5°
C6C7C8108.6°109.2°
C7C6H5108.9°109.6°
C6C7H14109.7°109.5°
C6C7H15109.7°109.6°
C10C9N4117.1°109.5°
C9C10H6109.1°109.5°
C9C10H7109.1°109.5°
C10C9H8107.5°109.5°
C10C9H9107.5°109.4°
C7C8N4118.6°109.6°
C7C8H12107.1°109.4°
C7C8H13107.2°109.4°
C8C7H14109.7°109.5°
C8C7H15109.7°109.5°
C9N4C8109.9°111.2°
N4C9H8107.5°109.5°
N4C9H9107.5°109.5°
C9N4H10109.3°111.0°
C8N4H10109.4°111.0°
N4C8H12107.1°109.5°
N4C8H13107.2°109.5°
H1N5H2109.4°120.0°
H3C5H4109.5°109.5°
H6C10H7109.5°109.6°
H8C9H9109.4°109.5°
H12C8H13109.5°109.4°
H14C7H15109.5°109.5°
H19C21H20109.4°109.5°
H21C22H22109.5°109.5°
H21C22H23109.5°109.5°
H22C22H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C20C14H25180.0°179.9°
C19C20C14C13179.2°180.0°
C20C19C18H24180.0°179.9°
C19C20C14C150.3°0.1°
C20C19C18O175.4°180.0°
C20C19C18C172.0°0.1°
C20C14C13C15178.8°179.9°
C20C14C13C12179.7°179.8°
C14C20C19C182.1°0.1°
C20C14C15C172.8°0.0°
C20C14C15C16179.7°180.0°
C14C20C19H24177.9°180.0°
C20C14C13H260.3°0.1°
C14C13C12H26180.0°179.8°
C14C13C12C110.1°0.5°
C13C14C15C17178.3°180.0°
C13C14C15C160.9°0.1°
C13C14C20H250.8°0.1°
C14C13C12H27179.9°180.0°
C12C13C14C151.5°0.2°
C13C12C11H27180.0°179.6°
C13C12C11C161.9°0.6°
C13C12C11C4174.7°179.8°
C19C18OC17177.5°180.0°
C19C18C17C150.5°0.0°
C19C18OC2190.7°0.0°
C19C18C17H18179.5°180.0°
C18C19C20H25177.9°180.0°
C14C15C17C182.9°0.0°
C14C15C17C16177.3°180.0°
C14C15C16C111.1°0.0°
C14C15C16H17178.9°180.0°
C14C15C17H18177.1°180.0°
C15C14C20H25179.7°180.0°
C15C14C13H26178.5°180.0°
C12C11C16C152.5°0.3°
C12C11C16C4176.5°179.7°
C12C11C4C342.1°135.6°
C12C11C4N2121.4°44.3°
C12C11C16H17177.6°179.7°
C11C12C13H26179.9°179.7°
OC18C17C15177.9°180.0°
C18OC21C22133.9°180.0°
OC18C17H182.1°0.0°
C18OC21H19106.3°59.9°
C18OC21H2014.0°60.1°
OC18C19H244.6°0.0°
C18C17C15H18180.0°180.0°
C18C17C15C16179.8°180.0°
C17C18OC2186.7°180.0°
C17C18C19H24178.0°180.0°
C17C15C16C11176.2°180.0°
C17C15C16H173.7°0.0°
C15C16C11H17180.0°180.0°
C15C16C11C4174.0°180.0°
C16C15C17H180.2°0.0°
OC21C22H19119.8°120.0°
OC21C22H20119.8°120.0°
OC21H19H20120.6°120.0°
OC21C22H21180.0°60.0°
OC21C22H2260.0°180.0°
OC21C22H2360.0°60.0°
C16C11C4C3134.4°44.7°
C16C11C4N262.1°135.3°
C16C11C12H27178.1°179.9°
C11C4C3N2164.7°180.0°
C11C4C3C19.4°0.0°
C11C4C3C2162.1°180.0°
C11C4N2N3161.3°179.9°
C4C11C16H176.0°0.1°
C4C11C12H275.4°0.2°
C22C21H19H20120.6°120.0°
C21C22H21H22120.0°120.0°
C21C22H21H23120.0°120.0°
C21C22H22H23120.0°120.0°
N5CC3C40.8°0.0°
N5CC3N178.2°179.7°
N5CC3C2179.1°180.0°
N5CNC1179.8°179.7°
CN5H1H2120.0°179.7°
C4C3CC2178.3°180.0°
C4C3CN177.4°179.8°
C3C4N2N34.0°0.0°
C4C3C2N30.0°0.0°
C4C3C2N1179.7°180.0°
N2C4C3C175.8°180.0°
N2C4C3C22.6°0.0°
C4N2N3C5161.3°180.0°
C4N2N3C23.9°0.0°
C3CNC11.6°0.6°
CC3C2N3178.8°180.0°
CC3C2N10.8°0.0°
C3CN5H1178.2°16.8°
C3CN5H261.8°163.5°
NCC3C20.9°0.2°
CNC1N10.7°0.6°
NCN5H10.0°163.5°
NCN5H2120.0°16.2°
CNC1H16179.3°179.7°
C3C2N3N22.4°0.0°
C3C2N3C5161.5°180.0°
C3C2N3N1179.6°179.9°
C3C2N1C11.6°0.0°
N2N3C5C2162.6°179.9°
N2N3C5C680.0°90.0°
N2N3C2N1177.2°180.0°
N2N3C5H341.4°150.0°
N2N3C5H4158.5°30.0°
NC1N1C20.9°0.3°
NC1N1H16180.0°179.7°
N3C5C6H3121.5°119.9°
N3C5C6H4121.5°120.0°
C5N3C2N118.8°0.1°
N3C5C6C10157.8°175.0°
N3C5C6C736.8°65.3°
N3C5H3H4115.4°120.0°
N3C5C6H582.9°54.9°
C6C5N3C2117.3°90.0°
C5C6C10C7121.3°119.9°
C5C6C10H5119.8°120.1°
C5C6C7H5120.2°120.1°
C5C6C10C9169.3°177.5°
C5C6C7C8178.3°177.5°
C6C5H3H4115.3°120.0°
C5C6C10H670.5°62.6°
C5C6C10H749.0°57.7°
C5C6C7H1461.8°57.7°
C5C6C7H1558.5°62.5°
N3C2N1C1177.9°179.9°
C2N3C5H3121.2°30.0°
C2N3C5H44.1°150.0°
C2N1C1H16179.1°180.0°
C10C6C7H5118.8°120.0°
C6C10C9H6120.2°119.9°
C6C10C9H7120.2°119.9°
C10C6C7C860.7°57.6°
C6C10C9N48.8°59.2°
C10C6C5H380.7°55.1°
C10C6C5H436.3°65.0°
C6C10H6H7119.4°120.2°
C6C10C9H8130.0°60.8°
C6C10C9H9112.3°179.2°
C10C6C7H1459.2°62.2°
C10C6C7H15179.5°177.7°
C7C6C10C948.0°57.7°
C6C7C8H14119.9°119.9°
C6C7C8H15119.8°120.0°
C6C7C8N417.0°59.2°
C7C6C5H3158.3°174.8°
C7C6C5H484.7°54.7°
C7C6C10H6168.2°177.6°
C7C6C10H772.2°62.2°
C6C7C8H12138.2°60.9°
C6C7C8H13104.4°179.2°
C6C7H14H15120.4°120.2°
C10C9N4H8121.1°120.0°
C10C9N4H9121.1°120.0°
C10C9N4C851.7°61.8°
C9C10C6H570.9°62.4°
C9C10H6H7119.3°120.1°
C10C9H8H9116.5°119.9°
C10C9N4H1068.3°174.2°
C7C8N4C937.5°61.8°
C7C8N4H12121.3°120.1°
C7C8N4H13121.3°120.0°
C8C7C6H558.2°62.4°
C7C8N4H1082.5°174.2°
C7C8H12H13115.9°119.9°
C8C7H14H15120.4°120.1°
C9N4C8H10120.0°124.1°
N4C9C10H6111.4°179.1°
N4C9C10H7129.1°60.7°
N4C9H8H9116.5°120.0°
C9N4C8H1283.7°58.3°
C9N4C8H13158.9°178.2°
C8N4C9H8172.8°58.3°
C8N4C9H969.4°178.3°
N4C8H12H13115.9°120.0°
N4C8C7H14102.9°60.7°
N4C8C7H15136.8°179.2°
H3C5C6H538.5°65.1°
H4C5C6H5155.6°174.9°
H5C6C10H649.3°57.5°
H5C6C10H7168.8°177.8°
H5C6C7H14178.0°177.8°
H5C6C7H1561.7°57.6°
H6C10C9H89.7°59.1°
H6C10C9H9127.5°60.9°
H7C10C9H8109.8°179.3°
H7C10C9H97.9°59.3°
H8C9N4H1052.8°65.8°
H9C9N4H10170.6°54.2°
H10N4C8H12156.2°65.8°
H10N4C8H1338.8°54.2°
H12C8C7H1418.4°179.2°
H12C8C7H15101.9°59.1°
H13C8C7H14135.8°59.3°
H13C8C7H1515.5°60.8°
H19C21C22H2160.2°60.0°
H19C21C22H22179.8°60.0°
H19C21C22H2359.8°180.0°
H20C21C22H2160.2°180.0°
H20C21C22H2259.8°60.0°
H20C21C22H23179.8°60.0°
H21C22H22H23120.0°120.1°
H24C19C20H252.1°0.1°
H26C13C12H270.1°0.1°

246704

PDB entries from 2025-12-24

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