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ZAF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1Adoub1.21Å1.31Å
C1O1Bsing1.34Å1.19Å
C1C2sing1.51Å1.44Å
O1BHOB1sing0.97Å0.95Å
C2AC2sing1.53Å1.53Å
C2ACP1sing1.51Å1.43Å
C2AH2A1sing1.09Å1.11Å
C2AH2A2sing1.09Å1.12Å
C2O3sing1.43Å1.45Å
C2H2sing1.09Å1.11Å
CP1CP2doub1.38Å1.35ÅAromatic
CP1CP6sing1.38Å1.35ÅAromatic
CP2CP3sing1.38Å1.35ÅAromatic
CP2HP2sing1.08Å1.10Å
CP3CP4doub1.38Å1.35ÅAromatic
CP3HP3sing1.08Å1.10Å
CP4CP5sing1.38Å1.35ÅAromatic
CP4HP4sing1.08Å1.10Å
CP5CP6doub1.38Å1.35ÅAromatic
CP5HP5sing1.08Å1.10Å
CP6HP6sing1.08Å1.10Å
O3P3sing1.61Å1.70Å
P3O3Adoub1.48Å1.55Å
P3O3Bsing1.61Å1.54Å
P3C4sing1.82Å1.73Å
O3BHOB3sing0.97Å0.95Å
C4C4Asing1.53Å1.55Å
C4N5sing1.46Å1.42Å
C4H4sing1.09Å1.12Å
C4AH4A1sing1.09Å1.11Å
C4AH4A2sing1.09Å1.11Å
C4AH4A3sing1.09Å1.11Å
N5C6sing1.35Å1.34Å
N5HN5sing0.97Å1.02Å
C6O6doub1.21Å1.19Å
C6C7sing1.51Å1.43Å
C7C7Asing1.53Å1.54Å
C7N8sing1.47Å1.42Å
C7H7sing1.09Å1.11Å
C7AH7A1sing1.09Å1.12Å
C7AH7A2sing1.09Å1.12Å
C7AH7A3sing1.09Å1.12Å
N8C9sing1.35Å1.33Å
N8HN8sing0.97Å1.02Å
C9O9doub1.22Å1.20Å
C9O10sing1.35Å1.33Å
O10C11sing1.45Å1.41Å
C11C1Xsing1.51Å1.44Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C1XC2Xdoub1.38Å1.35ÅAromatic
C1XC6Xsing1.38Å1.35ÅAromatic
C2XC3Xsing1.38Å1.35ÅAromatic
C2XHP2'sing1.08Å1.10Å
C3XC4Xdoub1.38Å1.35ÅAromatic
C3XHP3'sing1.08Å1.10Å
C4XC5Xsing1.38Å1.35ÅAromatic
C4XHP4'sing1.08Å1.10Å
C5XC6Xdoub1.38Å1.35ÅAromatic
C5XHP5'sing1.08Å1.10Å
C6XHP6'sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1AC1O1B121.0°120.0°
O1AC1C2116.1°120.0°
O1BC1C2122.9°120.0°
C1O1BHOB1121.0°120.1°
C1C2C2A109.0°109.4°
C1C2O3101.0°109.6°
C1C2H2116.5°109.5°
C2C2ACP1120.7°109.5°
C2C2AH2A1108.2°109.4°
C2C2AH2A2108.2°109.5°
C2AC2O3113.4°109.5°
C2AC2H2104.9°109.4°
CP1C2AH2A1108.2°109.5°
CP1C2AH2A2108.2°109.5°
C2ACP1CP2121.0°120.0°
C2ACP1CP6119.5°120.0°
H2A1C2AH2A2101.8°109.4°
O3C2H2112.4°109.4°
C2O3P3119.6°106.9°
CP2CP1CP6119.4°120.0°
CP1CP2CP3119.9°120.0°
CP1CP2HP2120.2°120.0°
CP1CP6CP5120.6°120.0°
CP1CP6HP6119.7°120.0°
CP3CP2HP2119.9°120.1°
CP2CP3CP4120.5°120.0°
CP2CP3HP3119.8°120.0°
CP4CP3HP3119.7°120.0°
CP3CP4CP5119.6°120.0°
CP3CP4HP4120.1°120.0°
CP5CP4HP4120.2°120.1°
CP4CP5CP6119.9°120.0°
CP4CP5HP5120.1°120.0°
CP6CP5HP5120.0°119.9°
CP5CP6HP6119.7°120.0°
O3P3O3A109.8°109.5°
O3P3O3B108.7°109.5°
O3P3C4107.4°109.5°
O3AP3O3B116.5°109.5°
O3AP3C4108.9°109.4°
O3BP3C4105.1°109.4°
P3O3BHOB3108.7°106.8°
P3C4C4A116.9°109.5°
P3C4N5108.9°109.5°
P3C4H4103.3°109.4°
C4AC4N5104.7°109.5°
C4AC4H4107.6°109.5°
C4C4AH4A1116.9°109.4°
C4C4AH4A2109.5°109.4°
C4C4AH4A3109.5°109.5°
N5C4H4115.8°109.5°
C4N5C6124.5°120.0°
C4N5HN5121.1°120.0°
H4A1C4AH4A2109.6°109.5°
H4A1C4AH4A3109.6°109.5°
H4A2C4AH4A3100.7°109.5°
C6N5HN5114.4°120.0°
N5C6O6120.9°120.0°
N5C6C7115.0°120.0°
O6C6C7124.1°120.0°
C6C7C7A108.0°109.4°
C6C7N8115.1°109.5°
C6C7H7107.4°109.6°
C7AC7N8111.6°109.4°
C7AC7H7111.2°109.4°
C7C7AH7A1108.0°109.5°
C7C7AH7A2112.8°109.5°
C7C7AH7A3112.8°109.5°
N8C7H7103.5°109.5°
C7N8C9127.6°120.0°
C7N8HN8119.9°120.0°
H7A1C7AH7A2112.7°109.4°
H7A1C7AH7A3112.7°109.5°
H7A2C7AH7A397.7°109.5°
C9N8HN8112.5°120.0°
N8C9O9117.0°120.1°
N8C9O10119.3°120.0°
O9C9O10123.7°120.0°
C9O10C11117.3°120.0°
O10C11C1X118.6°109.5°
O10C11H111108.9°109.5°
O10C11H112108.9°109.5°
C1XC11H111109.0°109.5°
C1XC11H112109.0°109.5°
C11C1XC2X119.2°120.0°
C11C1XC6X120.9°120.0°
H111C11H112101.1°109.4°
C2XC1XC6X119.9°120.0°
C1XC2XC3X120.2°120.0°
C1XC2XHP2'119.9°120.0°
C1XC6XC5X119.6°120.0°
C1XC6XHP6'120.2°120.0°
C3XC2XHP2'119.9°119.9°
C2XC3XC4X119.9°120.0°
C2XC3XHP3'120.1°120.1°
C4XC3XHP3'120.0°119.9°
C3XC4XC5X119.8°120.0°
C3XC4XHP4'120.1°120.0°
C5XC4XHP4'120.1°120.1°
C4XC5XC6X120.5°120.0°
C4XC5XHP5'119.7°119.9°
C6XC5XHP5'119.8°120.0°
C5XC6XHP6'120.1°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1AC1O1BC2179.8°179.9°
O1AC1O1BHOB1180.0°0.1°
O1AC1C2C2A89.1°120.1°
O1AC1C2O3151.3°0.0°
O1AC1C2H229.3°120.0°
O1BC1C2C2A91.1°60.0°
O1BC1C2O328.6°179.9°
O1BC1C2H2150.6°59.9°
C2C1O1BHOB10.2°180.0°
C1C2C2AO3111.6°120.1°
C1C2C2AH2125.4°120.0°
C1C2C2ACP158.9°180.0°
C1C2C2AH2A1175.9°60.0°
C1C2C2AH2A266.4°59.9°
C1C2O3H2124.9°120.1°
C1C2O3P385.1°120.0°
C2C2ACP1H2A1125.3°119.9°
C2C2ACP1H2A2125.2°120.1°
C2C2AH2A1H2A2113.9°120.0°
C2AC2O3H2118.7°119.9°
C2C2ACP1CP291.3°90.0°
C2C2ACP1CP689.9°90.3°
C2AC2O3P3158.5°120.0°
CP1C2AH2A1H2A2113.8°120.0°
CP1C2AC2O3170.5°59.9°
CP1C2AC2H266.6°60.0°
C2ACP1CP2CP6178.7°179.7°
C2ACP1CP2CP3179.2°180.0°
C2ACP1CP2HP20.8°0.1°
C2ACP1CP6CP5178.5°179.8°
C2ACP1CP6HP61.5°0.2°
H2A1C2AC2O364.2°60.1°
H2A1C2AC2H258.7°180.0°
H2A1C2ACP1CP233.9°30.0°
H2A1C2ACP1CP6144.8°149.7°
H2A2C2AC2O345.3°180.0°
H2A2C2AC2H2168.2°60.1°
H2A2C2ACP1CP2143.4°149.9°
H2A2C2ACP1CP635.3°29.8°
C2O3P3O3A53.1°60.0°
C2O3P3O3B75.4°60.0°
C2O3P3C4171.3°180.0°
H2C2O3P339.8°0.1°
CP1CP2CP3HP2180.0°179.9°
CP1CP2CP3CP42.8°0.1°
CP1CP2CP3HP3177.2°179.9°
CP2CP1CP6CP50.2°0.5°
CP2CP1CP6HP6179.7°179.9°
CP6CP1CP2CP32.1°0.3°
CP6CP1CP2HP2177.9°179.7°
CP1CP6CP5CP41.9°0.5°
CP1CP6CP5HP6179.9°179.5°
CP1CP6CP5HP5178.2°179.8°
CP2CP3CP4HP3180.0°180.0°
CP2CP3CP4CP51.1°0.0°
CP2CP3CP4HP4178.9°180.0°
HP2CP2CP3CP4177.3°180.0°
HP2CP2CP3HP32.8°0.0°
CP3CP4CP5HP4180.0°180.0°
CP3CP4CP5CP61.2°0.2°
CP3CP4CP5HP5178.9°180.0°
HP3CP3CP4CP5178.8°180.0°
HP3CP3CP4HP41.2°0.0°
CP4CP5CP6HP5179.9°179.8°
CP4CP5CP6HP6178.1°180.0°
HP4CP4CP5CP6178.8°179.8°
HP4CP4CP5HP51.1°0.1°
HP5CP5CP6HP61.8°0.2°
O3P3O3AO3B124.0°120.0°
O3P3O3AC4117.3°120.0°
O3P3O3BC4114.8°120.0°
O3P3O3BHOB3180.0°60.0°
O3P3C4C4A57.4°60.0°
O3P3C4N560.9°180.0°
O3P3C4H4175.5°60.0°
O3AP3O3BC4120.6°120.0°
O3AP3O3BHOB355.4°180.0°
O3AP3C4C4A176.3°60.0°
O3AP3C4N557.9°60.0°
O3AP3C4H465.7°180.0°
O3BP3C4C4A58.2°180.0°
O3BP3C4N5176.6°60.0°
O3BP3C4H459.8°60.0°
C4P3O3BHOB365.2°60.1°
P3C4C4AN5120.5°120.0°
P3C4C4AH4115.7°120.0°
P3C4N5H4115.9°120.0°
P3C4C4AH4A1180.0°60.0°
P3C4C4AH4A254.7°60.0°
P3C4C4AH4A354.7°180.0°
P3C4N5C6108.1°90.0°
P3C4N5HN571.9°90.1°
C4AC4N5H4118.4°120.0°
C4C4AH4A1H4A2125.2°119.9°
C4C4AH4A1H4A3125.2°120.0°
C4C4AH4A2H4A3115.2°120.0°
C4AC4N5C6126.1°150.0°
C4AC4N5HN553.9°30.0°
N5C4C4AH4A159.5°60.0°
N5C4C4AH4A265.8°180.0°
N5C4C4AH4A3175.3°60.0°
C4N5C6HN5180.0°180.0°
C4N5C6O615.2°0.0°
C4N5C6C7164.5°179.9°
H4C4C4AH4A164.3°180.0°
H4C4C4AH4A2170.4°60.0°
H4C4C4AH4A360.9°60.0°
H4C4N5C67.8°30.0°
H4C4N5HN5172.3°150.0°
H4A1C4AH4A2H4A3115.4°120.1°
N5C6O6C7179.6°179.9°
N5C6C7C7A104.3°60.1°
N5C6C7N8130.4°180.0°
N5C6C7H715.7°59.9°
HN5N5C6O6164.8°179.9°
HN5N5C6C715.6°0.0°
O6C6C7C7A76.1°120.0°
O6C6C7N849.3°0.1°
O6C6C7H7163.9°120.0°
C6C7C7AN8127.4°120.0°
C6C7C7AH7117.6°120.1°
C6C7N8H7116.9°120.1°
C6C7C7AH7A1180.0°60.0°
C6C7C7AH7A254.8°60.0°
C6C7C7AH7A354.8°180.0°
C6C7N8C965.3°150.0°
C6C7N8HN8114.7°29.9°
C7AC7N8H7119.6°119.9°
C7C7AH7A1H7A2125.3°120.0°
C7C7AH7A1H7A3125.3°120.1°
C7C7AH7A2H7A3118.8°120.1°
C7AC7N8C9171.2°90.0°
C7AC7N8HN88.8°90.1°
N8C7C7AH7A152.6°60.0°
N8C7C7AH7A272.7°180.0°
N8C7C7AH7A3177.8°60.0°
C7N8C9HN8180.0°179.9°
C7N8C9O9178.7°0.0°
C7N8C9O102.4°179.9°
H7C7C7AH7A162.4°180.0°
H7C7C7AH7A2172.4°60.1°
H7C7C7AH7A362.9°60.0°
H7C7N8C951.6°29.9°
H7C7N8HN8128.4°150.0°
H7A1C7AH7A2H7A3118.6°120.0°
N8C9O9O10178.8°179.9°
N8C9O10C11151.8°180.0°
HN8N8C9O91.3°179.9°
HN8N8C9O10177.6°0.0°
O9C9O10C1127.0°0.0°
C9O10C11C1X163.0°180.0°
C9O10C11H11171.7°60.0°
C9O10C11H11237.7°60.0°
O10C11C1XH111125.3°120.0°
O10C11C1XH112125.3°120.1°
O10C11H111H112114.6°120.0°
O10C11C1XC2X58.6°90.0°
O10C11C1XC6X123.5°90.3°
C1XC11H111H112114.7°119.9°
C11C1XC2XC6X178.0°179.7°
C11C1XC2XC3X179.9°179.9°
C11C1XC2XHP2'0.1°0.0°
C11C1XC6XC5X179.6°179.8°
C11C1XC6XHP6'0.4°0.2°
H111C11C1XC2X176.1°30.0°
H111C11C1XC6X1.8°149.7°
H112C11C1XC2X66.7°149.9°
H112C11C1XC6X111.3°29.8°
C1XC2XC3XHP2'180.0°180.0°
C1XC2XC3XC4X2.1°0.1°
C1XC2XC3XHP3'177.9°180.0°
C2XC1XC6XC5X1.7°0.5°
C2XC1XC6XHP6'178.3°180.0°
C6XC1XC2XC3X1.9°0.3°
C6XC1XC2XHP2'178.0°179.7°
C1XC6XC5XC4X1.6°0.4°
C1XC6XC5XHP6'180.0°179.5°
C1XC6XC5XHP5'178.4°179.7°
C2XC3XC4XHP3'180.0°180.0°
C2XC3XC4XC5X2.0°0.0°
C2XC3XC4XHP4'178.1°180.0°
HP2'C2XC3XC4X177.9°180.0°
HP2'C2XC3XHP3'2.1°0.0°
C3XC4XC5XHP4'180.0°180.0°
C3XC4XC5XC6X1.7°0.1°
C3XC4XC5XHP5'178.3°179.9°
HP3'C3XC4XC5X178.0°179.9°
HP3'C3XC4XHP4'2.0°0.1°
C4XC5XC6XHP5'180.0°179.9°
C4XC5XC6XHP6'178.4°179.9°
HP4'C4XC5XC6X178.3°179.9°
HP4'C4XC5XHP5'1.7°0.1°
HP5'C5XC6XHP6'1.6°0.2°

246704

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