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UHO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2sing1.34Å1.29Å
C2C3sing1.51Å1.52Å
C3N4sing1.47Å1.44Å
N4C5sing1.40Å1.37Å
C5C6doub1.39Å1.39ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
C7C8sing1.51Å1.51Å
C8N9sing1.47Å1.48Å
N9C10sing1.46Å1.48Å
C10C11sing1.53Å1.47Å
C11C12sing1.51Å1.53Å
C12C13doub1.38Å1.41ÅAromatic
C13C14sing1.38Å1.38ÅAromatic
C14C15doub1.38Å1.39ÅAromatic
C15S16sing1.76Å1.76Å
S16O17doub1.42Å1.47Å
S16N18sing1.66Å1.59Å
S16O19doub1.42Å1.44Å
C15C20sing1.38Å1.40ÅAromatic
C20C21doub1.38Å1.38ÅAromatic
N9S22sing1.66Å1.65Å
S22C23sing1.76Å1.75Å
C23C24doub1.38Å1.39ÅAromatic
C24C25sing1.38Å1.38ÅAromatic
C25C26doub1.38Å1.38ÅAromatic
C26C27sing1.38Å1.39ÅAromatic
C27C28doub1.38Å1.39ÅAromatic
S22O29doub1.42Å1.44Å
S22O30doub1.42Å1.45Å
C7C31doub1.38Å1.38ÅAromatic
C31C32sing1.38Å1.38ÅAromatic
C32C33doub1.38Å1.37ÅAromatic
C2O34doub1.21Å1.22Å
C33C5sing1.39Å1.37ÅAromatic
C21C12sing1.38Å1.37ÅAromatic
C28C23sing1.38Å1.39ÅAromatic
C3H3Asing1.09Å1.10Å
C3H3Bsing1.09Å1.10Å
C6H6sing1.08Å1.08Å
C11H11Bsing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C21H21sing1.08Å1.08Å
O1H1sing0.97Å0.95Å
N4H4sing0.97Å1.00Å
C8H8Asing1.09Å1.10Å
C8H8Bsing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C10H10Bsing1.09Å1.10Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
N18H18Asing0.97Å1.00Å
N18H18Bsing0.97Å1.00Å
C20H20sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C2C3120.0°120.0°
O1C2O34125.4°120.0°
C2O1H1109.5°117.0°
C2C3N4110.2°109.4°
C3C2O34114.6°120.0°
C2C3H3A109.3°109.5°
C2C3H3B109.3°109.5°
C3N4C5124.4°120.0°
N4C3H3A109.3°109.5°
N4C3H3B109.3°109.5°
C3N4H4105.6°120.1°
N4C5C6122.0°120.0°
N4C5C33118.3°120.0°
C5N4H4105.6°120.0°
C5C6C7120.8°119.9°
C6C5C33119.7°119.9°
C5C6H6119.6°120.1°
C6C7C8121.0°119.9°
C6C7C31118.6°120.1°
C7C6H6119.6°120.1°
C7C8N9111.8°109.5°
C8C7C31120.3°120.0°
C7C8H8A108.9°109.4°
C7C8H8B108.9°109.5°
C8N9C10117.7°120.0°
C8N9S22117.9°120.0°
N9C8H8A108.9°109.5°
N9C8H8B108.9°109.5°
N9C10C11106.9°109.5°
C10N9S22120.0°120.0°
N9C10H10A110.1°109.5°
N9C10H10B110.1°109.5°
C10C11C12111.3°109.5°
C10C11H11B109.0°109.4°
C10C11H11A109.0°109.5°
C11C10H10A110.1°109.5°
C11C10H10B110.1°109.4°
C11C12C13123.5°120.0°
C11C12C21116.8°120.0°
C12C11H11B109.0°109.5°
C12C11H11A109.0°109.5°
C12C13C14121.0°120.0°
C13C12C21118.2°120.0°
C12C13H13119.5°120.0°
C13C14C15119.2°120.0°
C14C13H13119.5°120.0°
C13C14H14120.4°120.0°
C14C15S16121.1°120.0°
C14C15C20120.2°120.0°
C15C14H14120.4°120.0°
C15S16O17105.4°106.4°
C15S16N18108.8°107.2°
C15S16O19107.4°106.4°
S16C15C20118.6°120.0°
O17S16N18110.6°106.4°
O17S16O19115.0°123.2°
N18S16O19109.4°106.4°
S16N18H18A109.5°120.0°
S16N18H18B109.5°120.0°
C15C20C21119.6°120.0°
C15C20H20120.2°120.0°
C20C21C12121.8°120.0°
C20C21H21119.1°120.0°
C21C20H20120.2°120.0°
N9S22C23105.1°107.2°
N9S22O29108.4°106.4°
N9S22O30106.4°106.4°
S22C23C24118.8°120.0°
C23S22O29105.7°106.4°
C23S22O30108.9°106.4°
S22C23C28119.9°120.0°
C23C24C25119.1°120.0°
C24C23C28121.3°120.0°
C23C24H24120.5°120.0°
C24C25C26120.4°120.0°
C25C24H24120.4°120.0°
C24C25H25119.8°120.0°
C25C26C27120.1°120.0°
C26C25H25119.8°120.0°
C25C26H26119.9°120.0°
C26C27C28120.3°120.0°
C27C26H26120.0°120.0°
C26C27H27119.8°120.0°
C27C28C23118.8°120.0°
C28C27H27119.9°120.0°
C27C28H28120.6°120.0°
O29S22O30121.3°123.2°
C7C31C32120.5°120.1°
C7C31H31119.8°119.9°
C31C32C33120.8°120.1°
C32C31H31119.8°119.9°
C31C32H32119.6°119.9°
C32C33C5119.7°119.9°
C33C32H32119.6°120.0°
C32C33H33120.1°120.0°
C5C33H33120.1°120.1°
C12C21H21119.1°120.0°
C23C28H28120.6°120.0°
H3AC3H3B109.4°109.5°
H11BC11H11A109.4°109.5°
H8AC8H8B109.5°109.5°
H10AC10H10B109.5°109.5°
H18AN18H18B109.4°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C3O34177.6°179.7°
O1C2C3N42.6°179.7°
O1C2C3H3A122.8°59.7°
O1C2C3H3B117.5°60.3°
C2C3N4H3A120.1°120.0°
C2C3N4H3B120.1°120.0°
C2C3N4C578.4°180.0°
C2C3H3AH3B119.7°120.0°
C3C2O1H1177.3°180.0°
C2C3N4H443.6°0.0°
C3N4C5H4122.0°180.0°
C3N4C5C60.9°180.0°
N4C3C2O34179.8°0.0°
C3N4C5C33179.5°0.2°
N4C3H3AH3B119.7°120.0°
N4C5C6C33178.5°179.8°
N4C5C6C7177.7°180.0°
N4C5C33C32177.7°179.7°
C5N4C3H3A161.4°60.1°
C5N4C3H3B41.7°60.0°
N4C5C6H62.3°0.0°
N4C5C33H332.3°0.2°
C5C6C7H6180.0°180.0°
C5C6C7C8175.5°180.0°
C5C6C7C310.5°0.0°
C6C5C33C320.9°0.6°
C6C5N4H4123.0°0.0°
C6C5C33H33179.1°180.0°
C6C7C8C31176.0°179.9°
C6C7C8N983.6°96.1°
C6C7C31C320.3°0.0°
C7C6C5C330.8°0.3°
C6C7C8H8A36.8°143.9°
C6C7C8H8B156.1°23.9°
C6C7C31H31179.7°180.0°
C7C8N9H8A120.4°120.0°
C7C8N9H8B120.3°120.0°
C7C8N9C1061.4°84.6°
C7C8N9S22142.1°95.4°
C8C7C31C32175.7°179.9°
C8C7C6H64.5°0.0°
C7C8H8AH8B118.9°120.0°
C8C7C31H314.3°0.0°
C8N9C10S22156.0°180.0°
C8N9C10C1167.8°85.0°
C8N9S22C2371.7°95.6°
C8N9S22O29175.6°150.9°
C8N9S22O3043.7°17.9°
N9C8C7C3192.4°83.8°
N9C8H8AH8B118.9°120.0°
C8N9C10H10A51.8°35.0°
C8N9C10H10B172.6°155.0°
N9C10C11H10A119.6°120.1°
N9C10C11H10B119.6°120.0°
N9C10C11C12171.3°180.0°
C10N9S22C23132.3°84.4°
C10N9S22O2919.7°29.1°
C10N9S22O30112.2°162.1°
N9C10C11H11B51.0°60.0°
N9C10C11H11A68.4°60.0°
C10N9C8H8A178.2°155.4°
C10N9C8H8B59.0°35.4°
N9C10H10AH10B121.2°120.0°
C10C11C12H11B120.3°120.0°
C10C11C12H11A120.3°120.0°
C10C11C12C1346.7°90.1°
C11C10N9S2288.2°95.0°
C10C11C12C21147.4°90.1°
C10C11H11BH11A119.2°120.0°
C11C10H10AH10B121.2°120.0°
C11C12C13C21165.7°179.9°
C11C12C13C14164.8°180.0°
C11C12C21C20165.9°179.6°
C12C11H11BH11A119.1°120.0°
C11C12C21H2114.1°0.1°
C12C11C10H10A69.1°60.0°
C12C11C10H10B51.7°60.0°
C11C12C13H1315.2°0.0°
C12C13C14H13180.0°180.0°
C12C13C14C150.4°0.0°
C13C12C21C200.8°0.5°
C13C12C11H11B73.6°150.0°
C13C12C11H11A167.0°30.0°
C13C12C21H21179.2°180.0°
C12C13C14H14179.6°180.0°
C13C14C15H14180.0°179.9°
C13C14C15S16174.5°180.0°
C13C14C15C201.9°0.3°
C14C13C12C210.9°0.1°
C14C15S16C20176.5°179.7°
C14C15S16O1711.1°23.6°
C14C15S16N18129.7°89.9°
C14C15S16O19112.0°156.5°
C14C15C20C212.1°0.7°
C15C14C13H13179.6°180.0°
C14C15C20H20177.9°180.0°
C15S16O17N18117.4°114.1°
C15S16O17O19118.1°123.0°
C15S16N18O19117.0°113.6°
S16C15C20C21174.5°179.6°
S16C15C14H145.5°0.0°
C15S16N18H18A180.0°0.1°
C15S16N18H18B60.0°180.0°
S16C15C20H205.5°0.3°
O17S16N18O19127.7°132.9°
O17S16C15C20165.4°156.7°
O17S16N18H18A64.7°113.6°
O17S16N18H18B55.3°66.5°
N18S16C15C2046.8°89.8°
S16N18H18AH18B120.0°179.9°
O19S16C15C2071.5°23.8°
O19S16N18H18A63.0°113.5°
O19S16N18H18B177.0°66.4°
C15C20C21H20180.0°179.3°
C15C20C21C120.7°0.8°
C15C20C21H21179.3°179.7°
C20C15C14H14178.1°179.7°
C20C21C12H21180.0°179.5°
N9S22C23O29114.5°113.6°
N9S22C23O30113.7°113.5°
N9S22C23C2463.1°85.1°
N9S22O29O30123.4°123.0°
N9S22C23C28115.5°95.1°
S22N9C8H8A21.8°24.5°
S22N9C8H8B97.5°144.5°
S22N9C10H10A152.3°145.0°
S22N9C10H10B31.4°25.0°
S22C23C24C28178.6°179.8°
S22C23C24C25178.7°180.0°
S22C23C28C27178.8°179.8°
C23S22O29O30124.4°122.9°
S22C23C24H241.3°0.0°
S22C23C28H281.2°0.2°
C23C24C25H24180.0°180.0°
C23C24C25C260.1°0.0°
C24C23C28C270.2°0.4°
C24C23S22O2951.4°28.4°
C24C23S22O30176.8°161.4°
C23C24C25H25179.9°180.0°
C24C23C28H28179.8°179.9°
C24C25C26H25180.0°180.0°
C24C25C26C270.2°0.0°
C25C24C23C280.1°0.2°
C24C25C26H26179.8°179.9°
C25C26C27H26180.0°179.9°
C25C26C27C280.1°0.2°
C26C25C24H24179.9°180.0°
C25C26C27H27179.9°180.0°
C26C27C28H27180.0°179.8°
C26C27C28C230.1°0.4°
C27C26C25H25179.8°180.0°
C26C27C28H28179.9°179.9°
C27C28C23H28180.0°179.6°
C28C27C26H26179.9°179.9°
O29S22C23C28130.0°151.3°
O30S22C23C281.8°18.4°
C7C31C32H31180.0°180.0°
C7C31C32C330.4°0.3°
C31C7C6H6179.5°180.0°
C31C7C8H8A147.3°36.2°
C31C7C8H8B28.0°156.1°
C7C31C32H32179.6°180.0°
C31C32C33H32180.0°179.7°
C31C32C33C50.7°0.6°
C31C32C33H33179.3°179.9°
C32C33C5H33180.0°179.5°
C33C32C31H31179.6°179.7°
O34C2C3H3A59.7°120.0°
O34C2C3H3B60.1°120.0°
O34C2O1H10.0°0.3°
C33C5C6H6179.2°179.8°
C33C5N4H458.5°179.7°
C5C33C32H32179.3°179.8°
C21C12C11H11B92.3°29.9°
C21C12C11H11A27.1°149.9°
C21C12C13H13179.1°179.9°
C12C21C20H20179.3°179.9°
C28C23C24H24179.9°179.7°
C23C28C27H27179.9°179.7°
H3AC3N4H476.5°120.0°
H3BC3N4H4163.7°120.0°
H11BC11C10H10A170.6°60.0°
H11BC11C10H10B68.6°180.0°
H11AC11C10H10A51.2°180.0°
H11AC11C10H10B172.0°60.0°
H21C21C20H200.7°0.5°
H13C13C14H140.4°0.0°
H24C24C25H250.1°0.1°
H25C25C26H260.2°0.1°
H26C26C27H270.1°0.1°
H27C27C28H280.1°0.1°
H31C31C32H320.4°0.1°
H32C32C33H330.7°0.3°

251174

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