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J4E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02sing1.51Å1.54Å
C02C03doub1.38Å1.42ÅAromatic
C02C30sing1.38Å1.41ÅAromatic
C03C04sing1.38Å1.42ÅAromatic
C30C29doub1.38Å1.42ÅAromatic
C04C05doub1.39Å1.42ÅAromatic
C29C05sing1.39Å1.41ÅAromatic
C05S06sing1.76Å1.82Å
O28C27sing1.43Å1.42Å
N26N25doub1.29Å1.29ÅAromatic
N26N15sing1.29Å1.37ÅAromatic
S06C07sing1.81Å1.82Å
C07C27sing1.53Å1.52Å
C07O08sing1.43Å1.41Å
N25C17sing1.34Å1.42ÅAromatic
C14C27sing1.53Å1.51Å
C14N15sing1.46Å1.45Å
C14C12sing1.53Å1.56Å
N15C16sing1.35Å1.40ÅAromatic
C09O08sing1.43Å1.43Å
C09C12sing1.53Å1.54Å
C09C10sing1.53Å1.52Å
C12O13sing1.43Å1.41Å
C17C16doub1.36Å1.38ÅAromatic
C17C18sing1.48Å1.43Å
O11C10sing1.43Å1.41Å
C24C18doub1.39Å1.41ÅAromatic
C24C23sing1.38Å1.39ÅAromatic
C18C19sing1.39Å1.39ÅAromatic
C23C21doub1.39Å1.40ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C21C20sing1.38Å1.41ÅAromatic
C21F22sing1.35Å1.32Å
C10H102sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C20H201sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C03H031sing1.08Å1.08Å
C04H041sing1.08Å1.08Å
C07H071sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C16H161sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C23H231sing1.08Å1.08Å
C27H271sing1.09Å1.10Å
C29H291sing1.08Å1.08Å
C30H301sing1.08Å1.08Å
O11H111sing0.97Å0.95Å
O13H131sing0.97Å0.95Å
O28H281sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C02C03121.9°119.9°
C01C02C30123.7°120.0°
C02C01H013109.5°109.5°
C02C01H011109.5°109.4°
C02C01H012109.5°109.5°
C03C02C30114.5°120.1°
C02C03C04123.3°120.1°
C02C03H031118.4°119.9°
C02C30C29122.7°120.1°
C02C30H301118.7°119.9°
C03C04C05121.3°119.9°
C04C03H031118.3°120.0°
C03C04H041119.4°120.1°
C30C29C05122.2°119.9°
C30C29H291118.9°120.1°
C29C30H301118.6°120.0°
C04C05C29116.1°119.8°
C04C05S06123.6°120.1°
C05C04H041119.3°120.0°
C29C05S06120.2°120.1°
C05C29H291118.9°120.0°
C05S06C07105.8°103.0°
O28C27C07110.6°109.6°
O28C27C14107.0°109.5°
O28C27H271112.8°109.6°
C27O28H281109.5°114.0°
N25N26N15108.6°110.5°
N26N25C17110.9°108.8°
N26N15C14122.8°125.7°
N26N15C16108.5°108.5°
S06C07C27111.4°109.5°
S06C07O08109.7°109.5°
S06C07H071105.1°109.5°
C27C07O08112.6°109.4°
C07C27C14103.8°109.2°
C27C07H071108.1°109.5°
C07C27H271111.0°109.5°
C07O08C09112.7°114.1°
O08C07H071109.6°109.5°
N25C17C16105.6°106.2°
N25C17C18124.9°126.9°
C27C14N15112.4°109.5°
C27C14C12112.0°109.0°
C27C14H141107.6°109.5°
C14C27H271111.3°109.5°
N15C14C12109.0°109.6°
C14N15C16128.6°125.8°
N15C14H141108.4°109.6°
C14C12C09108.8°109.1°
C14C12O13107.8°109.5°
C14C12H121108.7°109.5°
C12C14H141107.1°109.6°
N15C16C17106.4°106.1°
N15C16H161126.8°126.9°
O08C09C12107.9°109.4°
O08C09C10108.9°109.5°
O08C09H091110.7°109.5°
C12C09C10110.7°109.4°
C09C12O13111.7°109.6°
C12C09H091109.2°109.5°
C09C12H121109.0°109.5°
C09C10O11107.0°109.4°
C09C10H102110.1°109.5°
C09C10H101110.1°109.5°
C10C09H091109.5°109.5°
O13C12H121110.7°109.6°
C12O13H131109.5°113.9°
C16C17C18129.3°126.9°
C17C16H161126.8°127.0°
C17C18C24122.6°120.1°
C17C18C19122.2°120.1°
O11C10H102110.1°109.5°
O11C10H101110.1°109.5°
C10O11H111109.5°114.0°
C18C24C23123.5°119.9°
C24C18C19115.0°119.8°
C18C24H241118.3°120.1°
C24C23C21119.9°120.1°
C23C24H241118.3°120.0°
C24C23H231120.0°120.0°
C18C19C20123.2°119.9°
C18C19H191118.4°120.0°
C23C21C20117.8°120.2°
C23C21F22120.4°119.9°
C21C23H231120.0°119.9°
C19C20C21120.5°120.1°
C19C20H201119.8°119.9°
C20C19H191118.4°120.1°
C20C21F22121.8°119.9°
C21C20H201119.7°120.0°
H102C10H101109.5°109.4°
H013C01H011109.5°109.5°
H013C01H012109.4°109.5°
H011C01H012109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C02C03C30179.9°179.8°
C01C02C03C04180.0°180.0°
C01C02C30C29179.9°179.7°
C02C01H013H011120.0°119.9°
C02C01H013H012120.0°120.0°
C02C01H011H012120.0°120.0°
C01C02C03H0310.0°0.0°
C01C02C30H3010.1°0.0°
C02C03C04H031180.0°180.0°
C03C02C30C290.2°0.5°
C02C03C04C050.4°0.0°
C03C02C01H01390.0°90.0°
C03C02C01H011150.0°150.0°
C03C02C01H01230.0°30.0°
C02C03C04H041179.6°180.0°
C03C02C30H301179.8°179.7°
C30C02C03C040.0°0.2°
C02C30C29H301180.0°179.7°
C02C30C29C050.0°0.6°
C30C02C01H01390.0°90.2°
C30C02C01H01130.1°29.7°
C30C02C01H012150.1°149.7°
C30C02C03H031180.0°179.8°
C02C30C29H291180.0°179.7°
C03C04C05H041180.0°180.0°
C03C04C05C290.6°0.1°
C03C04C05S06179.5°180.0°
C30C29C05C040.4°0.3°
C30C29C05H291180.0°179.7°
C30C29C05S06179.4°179.8°
C04C05C29S06179.0°179.9°
C04C05S06C07144.7°180.0°
C05C04C03H031179.6°180.0°
C04C05C29H291179.6°180.0°
C29C05S06C0734.2°0.1°
C29C05C04H041179.4°180.0°
C05C29C30H301180.0°179.7°
C05S06C07C27143.7°175.0°
C05S06C07O0890.9°65.1°
S06C05C04H0410.5°0.1°
C05S06C07H07126.8°55.0°
S06C05C29H2910.6°0.1°
O28C27C07S0661.0°62.5°
O28C27C07C14114.4°120.0°
O28C27C07H271125.9°120.2°
O28C27C07O08175.2°177.6°
O28C27C14H271123.6°120.2°
O28C27C14N1563.1°63.2°
O28C27C14C12173.7°176.9°
O28C27C07H07154.0°57.5°
O28C27C14H14156.2°57.0°
N25N26N15C14178.8°179.7°
N25N26N15C160.8°0.2°
N26N25C17C161.6°0.4°
N26N25C17C18177.1°179.8°
N15N26N25C170.5°0.4°
N26N15C14C27127.7°145.1°
N26N15C14C16177.5°179.8°
N26N15C14C12107.4°95.4°
N26N15C16C171.8°0.0°
N26N15C14H1418.9°25.0°
N26N15C16H161178.3°179.9°
S06C07C27O08123.7°120.0°
S06C07C27H071115.0°120.0°
S06C07O08H071115.0°120.0°
S06C07C27C14175.4°177.6°
S06C07O08C09168.7°178.9°
S06C07C27H27164.9°57.7°
C27C07O08H071120.4°120.0°
C07C27C14H271119.5°119.9°
C07C27C14N15180.0°176.9°
C07C27C14C1256.8°57.0°
C27C07O08C0966.6°61.2°
C07C27C14H14160.7°63.0°
C07C27O28H281180.0°59.9°
O08C07C27C1460.8°57.6°
C07O08C09C1261.0°61.2°
C07O08C09C10178.8°178.9°
C07O08C09H09158.4°58.9°
O08C07C27H27158.8°62.2°
N25C17C16N152.0°0.2°
N25C17C16C18175.2°179.8°
N25C17C18C2418.8°0.2°
N25C17C18C19156.2°180.0°
N25C17C16H161178.1°179.7°
C27C14N15C12124.9°119.6°
C27C14N15H141118.9°120.1°
C27C14C12H141117.8°119.9°
C27C14N15C1654.7°35.1°
C27C14C12C0957.3°57.0°
C27C14C12O1364.0°63.0°
C14C27C07H07160.4°62.4°
C27C14C12H121175.9°176.9°
C14C27O28H28167.6°179.7°
N15C14C12H141117.1°120.3°
N15C14C12C09177.6°176.8°
N15C14C12O1361.1°56.9°
C14N15C16C17179.6°179.9°
N15C14C12H12159.0°63.2°
C14N15C16H1610.4°0.1°
N15C14C27H27160.5°57.0°
C12C14N15C1670.1°84.5°
C14C12C09O0855.1°57.6°
C14C12C09O13118.9°119.9°
C14C12C09H121118.4°119.9°
C14C12C09C10174.2°177.6°
C14C12O13H121118.9°120.2°
C14C12C09H09165.3°62.4°
C12C14C27H27162.7°62.9°
C14C12O13H131180.0°179.7°
N15C16C17H161180.0°180.0°
N15C16C17C18177.2°179.9°
C16N15C14H141173.6°155.2°
O08C09C12C10119.1°120.0°
O08C09C12H091120.3°120.0°
O08C09C10H091121.1°120.0°
O08C09C12O1363.9°62.3°
O08C09C10O1166.2°65.0°
O08C09C10H102174.2°175.0°
O08C09C10H10153.5°55.0°
C09O08C07H07153.8°58.9°
O08C09C12H121173.5°177.5°
C12C09C10H091120.4°120.0°
C09C12O13H121121.6°120.2°
C12C09C10O11175.4°175.1°
C12C09C10H10255.7°55.1°
C12C09C10H10165.0°64.9°
C09C12C14H14160.5°62.9°
C09C12O13H13160.5°60.0°
C10C09C12O1355.2°57.7°
C09C10O11H102119.6°120.0°
C09C10O11H101119.6°120.0°
C09C10H102H101121.1°120.0°
C10C09C12H12167.4°62.5°
C09C10O11H111180.0°180.0°
O13C12C09H091175.8°177.7°
O13C12C14H141178.2°177.2°
C16C17C18C24166.8°180.0°
C16C17C18C1918.2°0.2°
C17C18C24C19175.3°179.7°
C17C18C24C23178.3°180.0°
C17C18C19C20177.9°179.7°
C17C18C24H2411.7°0.2°
C18C17C16H1612.8°0.1°
C17C18C19H1912.2°0.3°
O11C10H102H101121.1°120.0°
O11C10C09H09155.0°55.1°
C18C24C23H241180.0°179.8°
C18C24C23C211.9°0.2°
C24C18C19C202.5°0.0°
C24C18C19H191177.5°180.0°
C18C24C23H231178.1°180.0°
C23C24C18C193.0°0.2°
C24C23C21H231180.0°179.8°
C24C23C21C200.2°0.1°
C24C23C21F22178.9°180.0°
C18C19C20H191180.0°180.0°
C18C19C20C211.0°0.3°
C18C19C20H201178.9°180.0°
C19C18C24H241177.1°180.0°
C23C21C20C190.2°0.3°
C23C21C20F22179.1°179.9°
C23C21C20H201179.8°180.0°
C21C23C24H241178.1°180.0°
C19C20C21H201180.0°179.7°
C19C20C21F22179.3°179.7°
C21C20C19H191179.0°179.7°
C20C21C23H231179.8°179.7°
F22C21C20H2010.7°0.0°
F22C21C23H2311.1°0.2°
H102C10C09H09164.7°64.9°
H102C10O11H11160.4°60.0°
H101C10C09H091174.6°175.1°
H101C10O11H11160.4°60.0°
H201C20C19H1911.0°0.0°
H241C24C23H2311.9°0.2°
H013C01H011H012120.0°120.1°
H031C03C04H0410.4°0.0°
H071C07C27H271180.0°177.7°
H091C09C12H12153.2°57.5°
H121C12C14H14158.0°57.0°
H121C12O13H13161.1°60.2°
H141C14C27H271179.8°177.1°
H271C27O28H28155.0°60.2°
H291C29C30H3010.0°0.0°

217705

數據於2024-03-27公開中

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