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8HV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
O1C3doub1.21Å1.22Å
C1C3sing1.51Å1.53Å
C1C2sing1.53Å1.52Å
C1Osing1.43Å1.43Å
C3Nsing1.35Å1.35Å
NC4sing1.47Å1.47Å
NC8sing1.47Å1.47Å
C4C5sing1.53Å1.53Å
C5C6sing1.53Å1.53Å
C8C7sing1.53Å1.53Å
C7C6sing1.53Å1.54Å
C6C9sing1.51Å1.51Å
C23C9doub1.38Å1.40ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C9C10sing1.38Å1.39ÅAromatic
C22C12doub1.39Å1.40ÅAromatic
C10C11doub1.38Å1.38ÅAromatic
C11C12sing1.39Å1.39ÅAromatic
C12N1sing1.40Å1.42Å
O2C13doub1.22Å1.23Å
N1C13sing1.35Å1.37Å
C13N2sing1.35Å1.36Å
N2C21sing1.36Å1.46ÅAromatic
N2C14sing1.36Å1.47ÅAromatic
C21C20doub1.37Å1.50ÅAromatic
C14C15doub1.37Å1.50ÅAromatic
C20C15sing1.48Å1.39ÅAromatic
C20C19sing1.41Å1.39ÅAromatic
C15C16sing1.41Å1.40ÅAromatic
C19C18doub1.36Å1.37ÅAromatic
C16C17doub1.35Å1.39ÅAromatic
C18C17sing1.40Å1.39ÅAromatic
C18Fsing1.35Å1.37Å
N1H1sing0.97Å1.00Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
C10H11sing1.08Å1.08Å
C17H12sing1.08Å1.08Å
C21H13sing1.08Å1.08Å
C22H14sing1.08Å1.08Å
C16H15sing1.08Å1.08Å
C19H16sing1.08Å1.08Å
C14H17sing1.08Å1.08Å
C11H18sing1.08Å1.08Å
C23H19sing1.08Å1.08Å
OH20sing0.97Å0.95Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C2H23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C3109.3°109.5°
CC1C2111.3°109.5°
CC1O107.1°109.4°
C1CH24109.5°109.5°
C1CH25109.5°109.5°
C1CH26109.5°109.5°
O1C3C1112.6°120.0°
O1C3N120.9°120.0°
C3C1C2108.8°109.5°
C3C1O111.4°109.5°
C1C3N126.5°120.0°
C2C1O109.0°109.5°
C1C2H21109.5°109.5°
C1C2H22109.5°109.5°
C1C2H23109.5°109.5°
C1OH20109.5°114.0°
C3NC4122.2°120.6°
C3NC8127.1°120.6°
C4NC8110.6°118.7°
NC4C5110.6°108.8°
NC4H2109.2°109.5°
NC4H3109.2°109.7°
NC8C7110.5°108.8°
NC8H9109.2°109.6°
NC8H10109.2°109.7°
C4C5C6110.9°109.3°
C5C4H2109.2°109.5°
C5C4H3109.2°109.6°
C4C5H4109.1°109.6°
C4C5H5109.1°109.6°
C5C6C7110.5°109.5°
C5C6C9113.1°109.5°
C6C5H4109.1°109.4°
C6C5H5109.1°109.4°
C5C6H6106.4°109.4°
C8C7C6111.4°109.4°
C8C7H7109.0°109.5°
C8C7H8109.0°109.5°
C7C8H9109.2°109.6°
C7C8H10109.2°109.6°
C7C6C9113.5°109.5°
C7C6H6106.3°109.5°
C6C7H7109.0°109.5°
C6C7H8109.0°109.5°
C6C9C23121.9°119.9°
C6C9C10119.9°119.9°
C9C6H6106.6°109.5°
C9C23C22121.0°120.1°
C23C9C10118.2°120.2°
C9C23H19119.5°120.0°
C23C22C12120.1°119.9°
C23C22H14119.9°120.0°
C22C23H19119.5°119.9°
C9C10C11121.2°120.1°
C9C10H11119.4°120.0°
C22C12C11119.0°119.9°
C22C12N1125.7°120.1°
C12C22H14120.0°120.1°
C10C11C12120.2°119.9°
C11C10H11119.4°120.0°
C10C11H18119.9°120.0°
C11C12N1115.2°120.1°
C12C11H18119.9°120.0°
C12N1C13128.8°120.0°
C12N1H1115.6°120.0°
O2C13N1123.6°120.0°
O2C13N2120.6°120.0°
N1C13N2115.3°120.0°
C13N1H1115.6°120.0°
C13N2C21121.6°124.7°
C13N2C14120.8°124.7°
C21N2C14112.7°110.6°
N2C21C20102.6°108.5°
N2C21H13128.7°125.7°
N2C14C15102.8°108.6°
N2C14H17128.6°125.7°
C21C20C15110.8°106.1°
C21C20C19128.4°135.2°
C20C21H13128.7°125.8°
C14C15C20110.0°106.1°
C14C15C16130.2°135.3°
C15C14H17128.6°125.7°
C15C20C19120.5°118.6°
C20C15C16119.7°118.6°
C20C19C18118.4°119.5°
C20C19H16120.8°120.3°
C15C16C17120.2°119.6°
C15C16H15119.9°120.2°
C19C18C17123.1°121.8°
C19C18F118.0°119.1°
C18C19H16120.8°120.3°
C16C17C18118.1°121.9°
C16C17H12120.9°119.1°
C17C16H15119.9°120.3°
C17C18F118.9°119.1°
C18C17H12121.0°119.0°
H2C4H3109.5°109.6°
H4C5H5109.5°109.5°
H7C7H8109.5°109.5°
H9C8H10109.5°109.6°
H21C2H22109.4°109.5°
H21C2H23109.4°109.4°
H22C2H23109.5°109.5°
H24CH25109.5°109.4°
H24CH26109.5°109.5°
H25CH26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C3O125.4°13.0°
CC1C3C2121.8°120.0°
CC1C3O118.1°120.0°
CC1C2O117.9°119.9°
CC1C3N154.2°166.9°
CC1OH20180.0°60.0°
CC1C2H21180.0°60.1°
CC1C2H2260.0°60.0°
CC1C2H2360.0°180.0°
C1CH24H25120.0°120.0°
C1CH24H26120.0°120.1°
C1CH25H26120.0°120.0°
O1C3C1N179.6°179.9°
O1C3C1C296.4°107.0°
O1C3C1O143.5°133.0°
O1C3NC40.1°4.0°
O1C3NC8177.5°176.1°
C3C1C2O121.6°120.0°
C1C3NC4179.5°176.1°
C1C3NC82.9°3.8°
C3C1OH2060.6°59.9°
C3C1C2H2159.5°60.0°
C3C1C2H2260.5°180.0°
C3C1C2H23179.5°60.0°
C3C1CH24180.0°60.0°
C3C1CH2560.0°180.0°
C3C1CH2660.0°60.0°
C2C1C3N84.0°73.1°
C2C1OH2059.5°180.0°
C1C2H21H22120.0°120.0°
C1C2H21H23120.0°119.9°
C1C2H22H23120.0°120.0°
C2C1CH2459.7°179.9°
C2C1CH2560.2°60.0°
C2C1CH26179.8°60.0°
OC1C3N36.1°46.9°
OC1C2H2162.1°180.0°
OC1C2H22177.9°60.0°
OC1C2H2357.8°60.1°
OC1CH2459.2°60.0°
OC1CH25179.2°60.0°
OC1CH2660.8°180.0°
C3NC4C8178.0°179.9°
C3NC4C5116.3°126.3°
C3NC8C7116.7°126.3°
C3NC4H2123.5°6.6°
C3NC4H33.8°113.8°
C3NC8H93.4°113.9°
C3NC8H10123.1°6.5°
NC4C5H2120.2°119.7°
NC4C5H3120.2°120.0°
NC4C5C657.0°54.6°
C4NC8C761.1°53.6°
NC4H2H3119.5°120.4°
NC4C5H4177.1°174.6°
NC4C5H563.3°65.3°
C4NC8H9178.7°66.2°
C4NC8H1059.0°173.4°
C8NC4C561.7°53.6°
NC8C7H9120.2°119.8°
NC8C7H10120.2°120.0°
NC8C7C656.1°54.6°
C8NC4H258.5°173.4°
C8NC4H3178.2°66.3°
NC8C7H764.2°174.6°
NC8C7H8176.4°65.3°
NC8H9H10119.5°120.5°
C4C5C6H4120.2°120.0°
C4C5C6H5120.2°120.0°
C4C5C6C751.6°61.3°
C4C5C6C9180.0°178.6°
C5C4H2H3119.5°120.3°
C4C5H4H5119.3°120.2°
C4C5C6H663.3°58.6°
C5C6C7C851.5°61.3°
C5C6C7C9128.2°120.1°
C5C6C7H6115.0°119.9°
C5C6C9H6116.5°119.9°
C5C6C9C2380.6°120.0°
C5C6C9C10101.6°60.0°
C6C5C4H263.2°174.4°
C6C5C4H3177.1°65.3°
C6C5H4H5119.4°120.0°
C5C6C7H768.8°178.7°
C5C6C7H8171.8°58.7°
C8C7C6H7120.3°120.0°
C8C7C6H8120.3°120.0°
C8C7C6C9179.7°178.6°
C8C7C6H663.5°58.6°
C8C7H7H8119.1°120.1°
C7C8H9H10119.5°120.2°
C7C6C9H6116.6°120.0°
C7C6C9C2346.2°119.9°
C7C6C9C10131.6°60.1°
C7C6C5H4171.8°178.7°
C7C6C5H568.6°58.7°
C6C7H7H8119.1°120.0°
C6C7C8H9176.3°65.2°
C6C7C8H1064.0°174.6°
C6C9C23C10177.8°180.0°
C6C9C23C22174.7°179.5°
C6C9C10C11176.3°180.0°
C9C6C5H459.8°58.6°
C9C6C5H559.9°61.4°
C9C6C7H759.4°58.6°
C9C6C7H860.0°61.4°
C6C9C10H113.6°0.3°
C6C9C23H195.3°0.0°
C9C23C22H19180.0°179.5°
C9C23C22C120.8°0.8°
C23C9C10C111.5°0.1°
C23C9C6H6162.8°0.1°
C23C9C10H11178.5°179.7°
C9C23C22H14179.2°179.2°
C22C23C9C103.1°0.5°
C23C22C12H14180.0°180.0°
C23C22C12C113.2°0.5°
C23C22C12N1173.6°179.9°
C9C10C11H11180.0°179.7°
C9C10C11C122.4°0.3°
C10C9C6H615.0°179.9°
C9C10C11H18177.6°179.8°
C10C9C23H19176.9°180.0°
C22C12C11C104.8°0.0°
C22C12C11N1177.1°179.4°
C22C12N1C136.5°35.1°
C22C12N1H1173.5°144.5°
C22C12C11H18175.2°179.9°
C12C22C23H19179.3°179.7°
C10C11C12H18180.0°180.0°
C10C11C12N1172.3°179.4°
C11C12N1C13170.5°144.3°
C11C12N1H19.5°36.1°
C12C11C10H11177.6°179.9°
C11C12C22H14176.8°179.5°
C12N1C13O21.9°4.3°
C12N1C13H1180.0°179.6°
C12N1C13N2170.4°175.6°
N1C12C22H146.4°0.1°
N1C12C11H187.7°0.5°
O2C13N1N2172.4°179.9°
O2C13N2C217.0°0.1°
O2C13N2C14160.4°179.8°
O2C13N1H1178.1°175.3°
N1C13N2C21165.6°180.0°
N1C13N2C1412.2°0.2°
C13N2C21C14155.4°179.8°
C13N2C21C20144.2°180.0°
C13N2C14C15145.8°179.9°
N2C13N1H19.6°4.8°
C13N2C21H1335.8°0.1°
C13N2C14H1734.2°0.1°
N2C21C20H13180.0°179.9°
C21N2C14C159.9°0.3°
N2C21C20C158.2°0.0°
N2C21C20C19177.3°179.9°
C21N2C14H17170.1°179.7°
C14N2C21C2011.2°0.2°
N2C14C15H17180.0°180.0°
N2C14C15C204.2°0.3°
N2C14C15C16178.8°180.0°
C14N2C21H13168.8°179.9°
C21C20C15C142.6°0.2°
C21C20C15C19175.0°179.9°
C21C20C15C16174.7°179.9°
C21C20C19C18172.8°180.0°
C21C20C19H167.3°0.2°
C14C15C20C16177.3°179.7°
C14C15C20C19177.6°179.9°
C14C15C16C17175.5°179.7°
C14C15C16H154.5°0.4°
C15C20C19C181.3°0.1°
C20C15C16C171.2°0.1°
C15C20C21H13171.8°179.9°
C20C15C16H15178.8°180.0°
C15C20C19H16178.7°180.0°
C20C15C14H17175.8°179.7°
C19C20C15C160.3°0.2°
C20C19C18H16180.0°179.9°
C20C19C18C170.8°0.1°
C20C19C18F178.3°179.9°
C19C20C21H132.7°0.0°
C15C16C17H15180.0°179.9°
C15C16C17C181.7°0.1°
C15C16C17H12178.3°179.9°
C16C15C14H171.2°0.0°
C19C18C17C160.7°0.1°
C19C18C17F179.1°180.0°
C19C18C17H12179.3°180.0°
C16C17C18H12180.0°179.8°
C16C17C18F179.8°179.8°
C18C17C16H15178.3°179.9°
C17C18C19H16179.2°179.8°
FC18C17H120.2°0.0°
FC18C19H161.7°0.2°
H2C4C5H457.0°65.7°
H2C4C5H5176.6°54.5°
H3C4C5H462.7°54.6°
H3C4C5H556.9°174.8°
H4C5C6H656.9°61.4°
H5C5C6H6176.5°178.6°
H6C6C7H7176.3°61.4°
H6C6C7H856.8°178.6°
H7C7C8H956.0°54.8°
H7C7C8H10175.7°65.5°
H8C7C8H963.5°174.9°
H8C7C8H1056.2°54.6°
H11C10C11H182.4°0.1°
H12C17C16H151.7°0.0°
H14C22C23H190.7°0.3°
H21C2H22H23119.9°120.0°
H24CH25H26120.0°120.0°

222415

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