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U15

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O42C41doub1.21Å1.23Å
C41O43sing1.34Å1.46Å
C41C37sing1.51Å1.52Å
O43C44sing1.45Å1.44Å
C44H441sing1.09Å1.10Å
C44H442sing1.09Å1.10Å
C44H443sing1.09Å1.10Å
C37C39sing1.53Å1.52Å
C37N36sing1.47Å1.46Å
C37H37sing1.09Å1.10Å
C39C48sing1.53Å1.54Å
C39H391sing1.09Å1.10Å
C39H392sing1.09Å1.10Å
C48C53sing1.53Å1.52Å
C48C51sing1.53Å1.52Å
C48H48sing1.09Å1.10Å
C53H531sing1.09Å1.10Å
C53H532sing1.09Å1.10Å
C53H533sing1.09Å1.10Å
C51H511sing1.09Å1.10Å
C51H512sing1.09Å1.10Å
C51H513sing1.09Å1.10Å
N36C27sing1.35Å1.33Å
N36HN36sing0.97Å1.00Å
C27O35doub1.21Å1.23Å
C27C24sing1.51Å1.51Å
C24C28sing1.53Å1.54Å
C24N23sing1.47Å1.46Å
C24H24sing1.09Å1.10Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C28H283sing1.09Å1.10Å
N23C20sing1.35Å1.31Å
N23HN23sing0.97Å1.00Å
C20O22doub1.21Å1.23Å
C20C14sing1.51Å1.51Å
C14O19sing1.43Å1.47Å
C14C7sing1.53Å1.53Å
C14H14sing1.09Å1.10Å
O19HO19sing0.97Å0.95Å
C7N15sing1.47Å1.47Å
C7C3sing1.51Å1.50Å
C7H7sing1.09Å1.10Å
N15H151sing1.01Å1.00Å
N15H152sing1.01Å1.00Å
C3C6doub1.38Å1.40ÅAromatic
C3C1sing1.38Å1.40ÅAromatic
C6C2sing1.38Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C2C5doub1.38Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
C5C9sing1.51Å1.48Å
C5C4sing1.38Å1.40ÅAromatic
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9H93sing1.09Å1.10Å
C4C1doub1.38Å1.41ÅAromatic
C4H4sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O42C41O43111.4°120.0°
O42C41C37123.5°120.0°
O43C41C37125.1°120.0°
C41O43C44114.4°120.0°
C41C37C39113.6°109.4°
C41C37N36112.1°109.5°
C41C37H37104.2°109.5°
O43C44H441109.5°109.4°
O43C44H442109.5°109.5°
O43C44H443109.5°109.5°
H441C44H442109.5°109.5°
H441C44H443109.4°109.5°
H442C44H443109.5°109.5°
C39C37N36108.2°109.5°
C39C37H37108.5°109.4°
C37C39C48114.9°109.5°
C37C39H391107.7°109.5°
C37C39H392106.5°109.5°
N36C37H37110.1°109.5°
C37N36C27126.0°120.0°
C37N36HN36117.0°120.0°
C48C39H391107.7°109.5°
C48C39H392106.4°109.4°
C39C48C53111.7°109.5°
C39C48C51113.2°109.5°
C39C48H48104.4°109.5°
H391C39H392113.8°109.5°
C53C48C51106.6°109.4°
C53C48H48111.3°109.4°
C48C53H531109.5°109.4°
C48C53H532109.5°109.5°
C48C53H533109.4°109.5°
C51C48H48109.7°109.5°
C48C51H511109.5°109.5°
C48C51H512109.4°109.5°
C48C51H513109.5°109.4°
H531C53H532109.5°109.4°
H531C53H533109.5°109.4°
H532C53H533109.5°109.5°
H511C51H512109.4°109.5°
H511C51H513109.4°109.4°
H512C51H513109.5°109.5°
C27N36HN36117.0°120.0°
N36C27O35126.1°120.0°
N36C27C24117.0°120.0°
O35C27C24116.8°120.1°
C27C24C28108.8°109.5°
C27C24N23109.2°109.4°
C27C24H24110.7°109.5°
C28C24N23111.2°109.4°
C28C24H24108.7°109.5°
C24C28H281109.5°109.5°
C24C28H282109.4°109.4°
C24C28H283109.5°109.4°
N23C24H24108.2°109.5°
C24N23C20117.7°120.0°
C24N23HN23121.2°120.0°
H281C28H282109.5°109.5°
H281C28H283109.4°109.5°
H282C28H283109.5°109.5°
C20N23HN23121.1°119.9°
N23C20O22124.7°120.0°
N23C20C14118.9°120.1°
O22C20C14116.4°120.0°
C20C14O19103.6°109.5°
C20C14C7104.7°109.4°
C20C14H14115.1°109.5°
O19C14C7106.6°109.5°
O19C14H14113.4°109.5°
C14O19HO19109.5°106.8°
C7C14H14112.5°109.4°
C14C7N15117.2°109.4°
C14C7C3108.7°109.5°
C14C7H7104.3°109.5°
N15C7C3108.3°109.5°
N15C7H7104.7°109.5°
C7N15H151109.5°106.7°
C7N15H152109.5°106.7°
C3C7H7113.8°109.5°
C7C3C6121.1°120.0°
C7C3C1122.3°120.0°
H151N15H152109.5°106.8°
C6C3C1116.6°120.0°
C3C6C2121.3°120.0°
C3C6H6119.3°120.0°
C3C1C4122.6°120.0°
C3C1H1118.7°120.0°
C2C6H6119.3°120.0°
C6C2C5121.2°120.0°
C6C2H2119.4°120.0°
C5C2H2119.4°120.0°
C2C5C9120.8°120.0°
C2C5C4118.7°119.9°
C9C5C4120.5°120.0°
C5C9H91109.5°109.4°
C5C9H92109.5°109.4°
C5C9H93109.5°109.5°
C5C4C1119.6°120.0°
C5C4H4120.2°120.0°
H91C9H92109.4°109.4°
H91C9H93109.4°109.5°
H92C9H93109.5°109.5°
C1C4H4120.2°120.0°
C4C1H1118.7°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O42C41O43C37179.9°179.9°
O42C41O43C448.7°0.0°
O42C41C37C3920.9°120.0°
O42C41C37N36143.9°0.1°
O42C41C37H3797.1°120.0°
C41O43C44H441116.7°180.0°
C41O43C44H442123.3°60.0°
C41O43C44H4433.2°60.0°
O43C41C37C39159.0°60.0°
O43C41C37N3636.0°180.0°
O43C41C37H3783.1°59.9°
C37C41O43C44171.4°180.0°
C41C37C39N36125.1°120.0°
C41C37C39H37115.4°120.0°
C41C37N36H37115.6°120.1°
C41C37C39C48135.2°175.2°
C41C37C39H39115.2°55.2°
C41C37C39H392107.2°64.8°
C41C37N36C2777.1°85.0°
C41C37N36HN36102.9°94.9°
O43C44H441H442120.0°120.0°
O43C44H441H443120.0°120.0°
O43C44H442H443120.0°120.0°
H441C44H442H443120.0°120.0°
C39C37N36H37118.4°120.0°
C37C39C48H391120.0°120.0°
C37C39C48H392117.6°120.0°
C37C39H391H392117.8°120.0°
C37C39C48C5393.9°65.9°
C37C39C48C51145.7°174.2°
C37C39C48H4826.5°54.1°
C39C37N36C2749.0°155.0°
C39C37N36HN36131.0°25.0°
N36C37C39C4899.7°64.8°
N36C37C39H391140.3°175.2°
N36C37C39H39217.9°55.2°
C37N36C27HN36180.0°180.0°
C37N36C27O351.3°0.0°
C37N36C27C24179.5°180.0°
H37C37C39C4819.8°55.2°
H37C37C39H391100.2°64.8°
H37C37C39H392137.3°175.2°
H37C37N36C27167.4°35.0°
H37C37N36HN3612.6°145.0°
C48C39H391H392117.8°120.0°
C39C48C53C51124.2°120.0°
C39C48C53H48116.3°120.0°
C39C48C51H48116.1°120.0°
C39C48C53H53164.9°60.0°
C39C48C53H53255.1°179.9°
C39C48C53H533175.1°60.0°
C39C48C51H51152.5°179.7°
C39C48C51H512172.5°59.6°
C39C48C51H51367.5°60.4°
H391C39C48C53146.1°54.1°
H391C39C48C5125.7°65.8°
H391C39C48H4893.5°174.1°
H392C39C48C5323.7°174.2°
H392C39C48C5196.7°54.2°
H392C39C48H48144.1°65.9°
C53C48C51H48120.6°120.0°
C48C53H531H532120.0°120.0°
C48C53H531H533120.0°120.0°
C48C53H532H533120.0°120.1°
C53C48C51H51170.7°59.7°
C53C48C51H51249.3°60.4°
C53C48C51H513169.3°179.6°
C51C48C53H53159.3°60.0°
C51C48C53H532179.3°59.9°
C51C48C53H53360.7°180.0°
C48C51H511H512120.0°120.1°
C48C51H511H513120.0°119.9°
C48C51H512H513120.0°120.0°
H48C48C53H531178.8°180.0°
H48C48C53H53261.2°60.0°
H48C48C53H53358.9°60.1°
H48C48C51H511168.7°60.3°
H48C48C51H51271.4°179.7°
H48C48C51H51348.7°59.7°
H531C53H532H533120.0°119.9°
H511C51H512H513120.0°120.0°
N36C27O35C24178.3°179.9°
N36C27C24C2886.2°60.1°
N36C27C24N23152.3°180.0°
N36C27C24H2433.2°60.0°
HN36N36C27O35178.7°180.0°
HN36N36C27C240.5°0.0°
O35C27C24C2892.3°120.0°
O35C27C24N2329.3°0.0°
O35C27C24H24148.4°119.9°
C27C24C28N23120.3°119.9°
C27C24C28H24120.6°120.1°
C27C24N23H24120.6°120.0°
C27C24C28H28174.0°59.9°
C27C24C28H282166.0°60.0°
C27C24C28H28346.0°180.0°
C27C24N23C20154.9°155.0°
C27C24N23HN2325.1°25.0°
C28C24N23H24119.3°120.0°
C24C28H281H282120.0°119.9°
C24C28H281H283120.0°120.0°
C24C28H282H283120.0°119.9°
C28C24N23C2085.1°85.0°
C28C24N23HN2394.9°95.0°
N23C24C28H281165.7°60.0°
N23C24C28H28245.7°180.0°
N23C24C28H28374.3°60.1°
C24N23C20HN23180.0°180.0°
C24N23C20O221.7°0.0°
C24N23C20C14179.5°180.0°
H24C24C28H28146.6°180.0°
H24C24C28H28273.4°60.0°
H24C24C28H283166.6°59.9°
H24C24N23C2034.3°35.0°
H24C24N23HN23145.8°145.0°
H281C28H282H283120.0°120.1°
N23C20O22C14178.8°180.0°
N23C20C14O19136.3°175.0°
N23C20C14C7112.1°65.0°
N23C20C14H1411.9°54.9°
HN23N23C20O22178.3°180.0°
HN23N23C20C140.5°0.0°
O22C20C14O1944.8°5.0°
O22C20C14C766.8°115.0°
O22C20C14H14169.2°125.0°
C20C14O19C7110.1°120.0°
C20C14O19H14125.5°120.0°
C20C14C7H14125.7°119.9°
C20C14O19HO1922.4°60.0°
C20C14C7N15165.7°55.1°
C20C14C7C371.1°175.0°
C20C14C7H750.6°65.0°
O19C14C7H14124.9°120.0°
O19C14C7N1556.4°65.0°
O19C14C7C3179.5°55.0°
O19C14C7H758.8°175.0°
C7C14O19HO1987.7°60.0°
C14C7N15C3123.3°120.0°
C14C7N15H7114.9°120.0°
C14C7C3H7115.7°120.0°
C14C7N15H15144.7°60.0°
C14C7N15H15275.3°53.9°
C14C7C3C672.0°100.0°
C14C7C3C1106.4°79.7°
H14C14O19HO19147.9°180.0°
H14C14C7N1568.6°175.0°
H14C14C7C354.6°65.0°
H14C14C7H7176.3°55.0°
N15C7C3H7116.0°120.1°
C7N15H151H152120.0°113.8°
N15C7C3C656.3°140.1°
N15C7C3C1125.3°40.3°
C3C7N15H15178.6°60.0°
C3C7N15H152161.4°173.8°
C7C3C6C1178.4°179.7°
C7C3C6C2178.7°180.0°
C7C3C6H61.3°0.1°
C7C3C1C4178.6°179.8°
C7C3C1H11.4°0.2°
H7C7N15H151159.6°180.0°
H7C7N15H15239.6°66.1°
H7C7C3C6172.3°20.0°
H7C7C3C19.3°160.3°
C3C6C2H6180.0°179.9°
C3C6C2C50.2°0.1°
C3C6C2H2179.8°180.0°
C6C3C1C40.2°0.5°
C6C3C1H1179.8°179.9°
C1C3C6C20.3°0.4°
C1C3C6H6179.7°179.7°
C3C1C4C50.3°0.4°
C3C1C4H1180.0°179.6°
C3C1C4H4179.7°179.7°
C6C2C5H2180.0°179.9°
C6C2C5C9179.7°180.0°
C6C2C5C40.7°0.0°
H6C6C2C5179.8°180.0°
H6C6C2H20.2°0.0°
C2C5C9C4179.6°180.0°
C2C5C9H9114.7°90.1°
C2C5C9H92134.7°150.0°
C2C5C9H93105.3°30.0°
C2C5C4C10.7°0.2°
C2C5C4H4179.3°180.0°
H2C2C5C90.3°0.1°
H2C2C5C4179.3°180.0°
C5C9H91H92120.0°119.9°
C5C9H91H93120.0°120.0°
C5C9H92H93120.0°120.0°
C9C5C4C1179.6°179.9°
C9C5C4H40.4°0.0°
C4C5C9H91165.6°90.0°
C4C5C9H9245.7°30.0°
C4C5C9H9374.4°150.0°
C5C4C1H4180.0°179.9°
C5C4C1H1179.7°180.0°
H91C9H92H93119.9°120.1°
H4C4C1H10.3°0.1°

224931

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