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VZX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CASCAUdoub1.40Å1.40ÅAromatic
CASCARsing1.36Å1.40ÅAromatic
CAUCAVsing1.36Å1.39ÅAromatic
CARCAPdoub1.41Å1.43ÅAromatic
CAVCAOdoub1.41Å1.43ÅAromatic
CAPCAOsing1.42Å1.37ÅAromatic
CAPCAQsing1.41Å1.44ÅAromatic
CAONAAsing1.33Å1.36ÅAromatic
NABCAQsing1.38Å1.46Å
NABCBBsing1.47Å1.44Å
NAACAMdoub1.33Å1.37ÅAromatic
CAQCALdoub1.41Å1.45ÅAromatic
CAMCALsing1.42Å1.37ÅAromatic
CAMCANsing1.41Å1.43ÅAromatic
CALCAKsing1.41Å1.43ÅAromatic
CBCCBBsing1.53Å1.53Å
CANCAIdoub1.36Å1.39ÅAromatic
CAKCAJdoub1.36Å1.40ÅAromatic
CAICAJsing1.39Å1.40ÅAromatic
CAIH1sing1.08Å1.08Å
CAJH2sing1.08Å1.08Å
CAKH3sing1.08Å1.08Å
CANH4sing1.08Å1.08Å
CARH5sing1.08Å1.08Å
CASH6sing1.08Å1.08Å
CAUH7sing1.08Å1.08Å
CAVH8sing1.08Å1.08Å
CBBH9sing1.09Å1.10Å
CBBH10sing1.09Å1.10Å
CBCH11sing1.09Å1.10Å
CBCH12sing1.09Å1.10Å
NABH14sing1.01Å1.00Å
CBCC1sing1.53Å19.42Å
C1C2sing1.53Å0.00Å
C2C3sing1.53Å0.00Å
C3N2sing1.47Å0.00Å
N2C5sing1.38Å0.00Å
C5C6sing1.41Å0.00ÅAromatic
C6C7sing1.42Å0.00ÅAromatic
C7N1sing1.33Å0.00ÅAromatic
N1C9doub1.33Å0.00ÅAromatic
C9C10sing1.42Å0.00ÅAromatic
C10C5doub1.41Å0.00ÅAromatic
C6C11doub1.41Å0.00ÅAromatic
C11C12sing1.36Å0.00ÅAromatic
C12C13doub1.39Å0.00ÅAromatic
C13C14sing1.36Å0.00ÅAromatic
C7C14doub1.41Å0.00ÅAromatic
C10C15sing1.41Å0.00ÅAromatic
C15C16doub1.36Å0.00ÅAromatic
C16C17sing1.39Å0.00ÅAromatic
C17C18doub1.36Å0.00ÅAromatic
C9C18sing1.41Å0.00ÅAromatic
C1H13sing1.09Å0.00Å
C1H15sing1.09Å0.00Å
C2H16sing1.09Å0.00Å
C2H17sing1.09Å0.00Å
C3H18sing1.09Å0.00Å
C3H19sing1.09Å0.00Å
N2H20sing1.01Å0.00Å
C11H21sing1.08Å0.00Å
C12H22sing1.08Å0.00Å
C13H23sing1.08Å0.00Å
C14H24sing1.08Å0.00Å
C15H25sing1.08Å0.00Å
C16H26sing1.08Å0.00Å
C17H27sing1.08Å0.00Å
C18H28sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAUCASCAR119.9°120.9°
CASCAUCAV120.5°121.1°
CAUCASH6120.1°119.6°
CASCAUH7119.7°119.4°
CASCARCAP120.1°119.7°
CASCARH5119.9°120.2°
CARCASH6120.1°119.6°
CAUCAVCAO119.5°119.9°
CAVCAUH7119.8°119.5°
CAUCAVH8120.2°120.0°
CARCAPCAO119.6°119.6°
CARCAPCAQ119.3°120.9°
CAPCARH5119.9°120.1°
CAVCAOCAP120.4°118.8°
CAVCAONAA119.3°120.4°
CAOCAVH8120.2°120.1°
CAOCAPCAQ121.1°119.4°
CAPCAONAA120.3°120.7°
CAPCAQNAB116.2°121.1°
CAPCAQCAL116.7°117.7°
CAONAACAM120.8°121.9°
CAQNABCBB127.9°111.0°
NABCAQCAL127.0°121.2°
CAQNABH14104.7°111.0°
NABCBBCBC111.1°109.5°
NABCBBH9109.0°109.5°
NABCBBH10109.1°109.5°
CBBNABH14104.7°111.0°
NAACAMCAL122.3°120.8°
NAACAMCAN117.3°120.4°
CAQCALCAM118.6°119.5°
CAQCALCAK123.4°120.9°
CALCAMCAN120.3°118.8°
CAMCALCAK117.9°119.7°
CAMCANCAI121.1°119.9°
CAMCANH4119.5°120.1°
CALCAKCAJ121.8°119.7°
CALCAKH3119.1°120.2°
CBCCBBH9109.1°109.5°
CBCCBBH10109.1°109.5°
CBBCBCH11117.9°109.5°
CBBCBCH12117.9°109.5°
CBBCBCC171.7°109.5°
CANCAICAJ119.3°121.2°
CANCAIH1120.4°119.4°
CAICANH4119.4°120.1°
CAKCAJCAI119.6°120.8°
CAKCAJH2120.2°119.6°
CAJCAKH3119.1°120.1°
CAJCAIH1120.4°119.4°
CAICAJH2120.2°119.6°
H9CBBH10109.5°109.5°
H11CBCH12109.5°109.4°
H11CBCC1117.9°109.4°
H12CBCC1117.9°109.5°
CBCC1C290.0°109.5°
CBCC1H1390.0°109.5°
CBCC1H1590.0°109.5°
C1C2C390.0°109.5°
C2C1H1390.0°109.4°
C2C1H1590.0°109.5°
C1C2H1690.0°109.5°
C1C2H1790.0°109.4°
C2C3N290.0°109.4°
C3C2H1690.0°109.5°
C3C2H1790.0°109.5°
C2C3H1890.0°109.5°
C2C3H1990.0°109.4°
C3N2C590.0°111.0°
N2C3H1890.0°109.5°
N2C3H1990.0°109.5°
C3N2H2090.0°111.1°
N2C5C690.0°121.1°
N2C5C1090.0°121.2°
C5N2H2090.0°111.0°
C5C6C790.0°119.5°
C6C5C1090.0°117.7°
C5C6C1190.0°120.9°
C6C7N190.0°120.8°
C7C6C1190.0°119.6°
C6C7C1490.0°118.8°
C7N1C990.0°121.9°
N1C7C1490.0°120.4°
N1C9C1090.0°120.8°
N1C9C1890.0°120.4°
C9C10C590.0°119.4°
C9C10C1590.0°119.7°
C10C9C1890.0°118.8°
C5C10C1590.0°120.9°
C6C11C1290.0°119.7°
C6C11H2190.0°120.1°
C11C12C1390.0°120.8°
C12C11H2190.0°120.2°
C11C12H2290.0°119.6°
C12C13C1490.0°121.2°
C13C12H2290.0°119.6°
C12C13H2390.0°119.4°
C13C14C790.0°119.8°
C14C13H2390.0°119.4°
C13C14H2490.0°120.1°
C7C14H2490.0°120.1°
C10C15C1690.0°119.7°
C10C15H2590.0°120.1°
C15C16C1790.0°120.9°
C16C15H2590.0°120.2°
C15C16H2690.0°119.6°
C16C17C1890.0°121.1°
C17C16H2690.0°119.6°
C16C17H2790.0°119.5°
C17C18C990.0°119.9°
C18C17H2790.0°119.4°
C17C18H2890.0°120.1°
C9C18H2890.0°120.1°
H13C1H1590.0°109.4°
H16C2H1790.0°109.5°
H18C3H1990.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAUCASCARH6180.0°180.0°
CASCAUCAVH7180.0°180.0°
CAUCASCARCAP0.9°0.0°
CASCAUCAVCAO0.2°0.1°
CAUCASCARH5179.1°180.0°
CASCAUCAVH8179.8°180.0°
CARCASCAUCAV0.4°0.0°
CASCARCAPH5180.0°180.0°
CASCARCAPCAO0.8°0.0°
CASCARCAPCAQ179.3°179.9°
CARCASCAUH7179.6°180.0°
CAUCAVCAOH8180.0°180.0°
CAUCAVCAOCAP0.3°0.1°
CAUCAVCAONAA179.5°179.9°
CAVCAUCASH6179.5°180.0°
CARCAPCAOCAV0.2°0.1°
CARCAPCAOCAQ179.9°179.9°
CARCAPCAONAA179.0°180.0°
CARCAPCAQNAB0.3°0.1°
CARCAPCAQCAL178.8°180.0°
CAPCARCASH6179.1°179.9°
CAVCAOCAPNAA179.2°180.0°
CAVCAOCAPCAQ180.0°180.0°
CAVCAONAACAM179.8°180.0°
CAOCAVCAUH7179.8°179.9°
CAOCAPCAQNAB179.8°180.0°
CAPCAONAACAM0.6°0.0°
CAOCAPCAQCAL1.0°0.1°
CAOCAPCARH5179.2°180.0°
CAPCAOCAVH8179.6°180.0°
CAQCAPCAONAA0.9°0.1°
CAPCAQNABCAL179.1°180.0°
CAPCAQNABCBB158.2°95.5°
CAPCAQCALCAM1.0°0.0°
CAPCAQCALCAK179.5°180.0°
CAQCAPCARH50.7°0.1°
CAPCAQNABH1479.4°140.6°
CAONAACAMCAL0.7°0.0°
CAONAACAMCAN179.4°179.7°
NAACAOCAVH80.5°0.0°
CAQNABCBBH14122.4°123.9°
NABCAQCALCAM179.9°180.0°
NABCAQCALCAK0.5°0.1°
CAQNABCBBCBC158.4°175.4°
CAQNABCBBH938.2°64.7°
CAQNABCBBH1081.3°55.3°
CBBNABCAQCAL22.7°84.5°
NABCBBCBCH9120.2°120.0°
NABCBBCBCH10120.2°120.0°
NABCBBH9H10119.3°120.0°
NABCBBCBCH118.7°60.0°
NABCBBCBCH12143.7°60.0°
NABCBBCBCC1103.8°180.0°
NAACAMCALCAQ0.9°0.0°
NAACAMCALCAN179.9°179.7°
NAACAMCALCAK179.7°179.9°
NAACAMCANCAI180.0°179.8°
NAACAMCANH40.0°0.3°
CAQCALCAMCAK179.5°179.9°
CAQCALCAMCAN179.3°179.7°
CAQCALCAKCAJ178.8°180.0°
CAQCALCAKH31.2°0.1°
CALCAQNABH1499.7°39.4°
CALCAMCANCAI0.1°0.5°
CAMCALCAKCAJ0.7°0.0°
CAMCALCAKH3179.3°180.0°
CALCAMCANH4179.9°180.0°
CANCAMCALCAK0.2°0.2°
CAMCANCAIH4180.0°179.5°
CAMCANCAICAJ0.0°0.5°
CAMCANCAIH1180.0°179.8°
CALCAKCAJH3180.0°179.9°
CALCAKCAJCAI0.8°0.0°
CALCAKCAJH2179.2°180.0°
CBCCBBH9H10119.3°120.0°
CBBCBCH11H12138.5°120.0°
CBBCBCH11C183.0°120.0°
CBBCBCH12C183.0°120.0°
CBCCBBNABH1479.2°60.7°
CBBCBCC1C290.0°180.0°
CBBCBCC1H1390.0°60.0°
CBBCBCC1H1590.0°59.9°
CANCAICAJCAK0.5°0.2°
CANCAICAJH1180.0°179.8°
CANCAICAJH2179.5°179.8°
CAKCAJCAIH2180.0°180.0°
CAKCAJCAIH1179.5°180.0°
CAICAJCAKH3179.2°180.0°
CAJCAICANH4180.0°180.0°
H1CAICAJH20.4°0.0°
H1CAICANH40.0°0.2°
H2CAJCAKH30.8°0.0°
H5CARCASH61.0°0.1°
H6CASCAUH70.5°0.0°
H7CAUCAVH80.2°0.0°
H9CBBCBCH11111.5°60.0°
H9CBBCBCH1223.5°180.0°
H9CBBNABH14160.6°59.3°
H9CBBCBCC1136.0°60.0°
H10CBBCBCH11128.9°180.0°
H10CBBCBCH1296.0°60.0°
H10CBBNABH1441.1°179.2°
H10CBBCBCC116.4°60.0°
H11CBCH12C1138.5°119.9°
H11CBCC1C290.0°59.9°
H11CBCC1H1390.0°179.9°
H11CBCC1H1590.0°60.1°
H12CBCC1C290.0°60.0°
H12CBCC1H1390.0°60.0°
H12CBCC1H1590.0°180.0°
CBCC1C2H1390.0°120.0°
CBCC1C2H1590.0°120.1°
CBCC1C2C390.0°180.0°
CBCC1H13H1590.0°120.0°
CBCC1C2H1690.0°59.9°
CBCC1C2H1790.0°60.0°
C1C2C3H1690.0°120.0°
C1C2C3H1790.0°119.9°
C1C2C3N290.0°180.0°
C2C1H13H1590.0°120.0°
C1C2H16H1790.0°119.9°
C1C2C3H1890.0°60.0°
C1C2C3H1990.0°60.0°
C2C3N2H1890.0°120.0°
C2C3N2H1990.0°119.9°
C2C3N2C590.0°176.9°
C3C2C1H1390.0°59.9°
C3C2C1H1590.0°60.0°
C3C2H16H1790.0°120.0°
C2C3H18H1990.0°120.0°
C2C3N2H2090.0°52.9°
C3N2C5H2090.0°124.0°
C3N2C5C690.0°84.8°
C3N2C5C1090.0°95.4°
N2C3C2H1690.0°59.9°
N2C3C2H1790.0°60.1°
N2C3H18H1990.0°120.0°
N2C5C6C1090.0°179.8°
N2C5C6C790.0°180.0°
N2C5C10C990.0°179.8°
N2C5C6C1190.0°0.0°
N2C5C10C1590.0°0.3°
C5N2C3H1890.0°63.1°
C5N2C3H1990.0°57.0°
C5C6C7C1190.0°180.0°
C5C6C7N190.0°0.1°
C6C5C10C990.0°0.4°
C5C6C11C1290.0°180.0°
C5C6C7C1490.0°180.0°
C6C5C10C1590.0°180.0°
C6C5N2H2090.0°39.2°
C5C6C11H2190.0°0.1°
C6C7N1C1490.0°179.9°
C6C7N1C990.0°0.1°
C7C6C5C1090.0°0.2°
C7C6C11C1290.0°0.0°
C6C7C14C1390.0°0.0°
C7C6C11H2190.0°179.9°
C6C7C14H2490.0°180.0°
C7N1C9C1090.0°0.2°
N1C7C6C1190.0°179.9°
N1C7C14C1390.0°179.9°
C7N1C9C1890.0°179.9°
N1C7C14H2490.0°0.1°
N1C9C10C1890.0°179.8°
N1C9C10C590.0°0.4°
C9N1C7C1490.0°180.0°
N1C9C10C1590.0°180.0°
N1C9C18C1790.0°179.7°
N1C9C18H2890.0°0.0°
C9C10C5C1590.0°179.6°
C9C10C15C1690.0°0.1°
C10C9C18C1790.0°0.5°
C9C10C15H2590.0°179.9°
C10C9C18H2890.0°179.8°
C10C5C6C1190.0°179.7°
C5C10C15C1690.0°179.5°
C5C10C9C1890.0°179.8°
C10C5N2H2090.0°140.6°
C5C10C15H2590.0°0.5°
C6C11C12H2190.0°180.0°
C6C11C12C1390.0°0.0°
C11C6C7C1490.0°0.0°
C6C11C12H2290.0°180.0°
C11C12C13H2290.0°180.0°
C11C12C13C1490.0°0.0°
C11C12C13H2390.0°180.0°
C12C13C14H2390.0°180.0°
C12C13C14C790.0°0.0°
C13C12C11H2190.0°179.9°
C12C13C14H2490.0°180.0°
C13C14C7H2490.0°180.0°
C14C13C12H2290.0°180.0°
C7C14C13H2390.0°180.0°
C10C15C16H2590.0°180.0°
C10C15C16C1790.0°0.0°
C15C10C9C1890.0°0.2°
C10C15C16H2690.0°180.0°
C15C16C17H2690.0°180.0°
C15C16C17C1890.0°0.3°
C15C16C17H2790.0°180.0°
C16C17C18H2790.0°179.7°
C16C17C18C990.0°0.5°
C17C16C15H2590.0°180.0°
C16C17C18H2890.0°179.8°
C17C18C9H2890.0°179.7°
C18C17C16H2690.0°179.7°
C9C18C17H2790.0°179.7°
H13C1C2H1690.0°180.0°
H13C1C2H1790.0°60.0°
H15C1C2H1690.0°60.1°
H15C1C2H1790.0°180.0°
H16C2C3H1890.0°180.0°
H16C2C3H1990.0°60.0°
H17C2C3H1890.0°59.9°
H17C2C3H1990.0°180.0°
H18C3N2H2090.0°173.0°
H19C3N2H2090.0°67.0°
H21C11C12H2290.0°0.0°
H22C12C13H2390.0°0.0°
H23C13C14H2490.0°0.0°
H25C15C16H2690.0°0.0°
H26C16C17H2790.0°0.0°
H27C17C18H2890.0°0.0°

248636

PDB entries from 2026-02-04

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