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SummaryGeometryRelated PDB entries

TO3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
F23C22sing1.35Å1.33Å
F25C24sing1.35Å1.30Å
C22C24doub1.39Å1.35ÅAromatic
C22C21sing1.38Å1.37ÅAromatic
C24C26sing1.39Å1.39ÅAromatic
C21C20doub1.38Å1.36ÅAromatic
C26F27sing1.35Å1.32Å
C26C28doub1.39Å1.35ÅAromatic
C17C16doub1.39Å1.34ÅAromatic
C17C12sing1.39Å1.35ÅAromatic
C28C20sing1.38Å1.38ÅAromatic
C28F29sing1.35Å1.30Å
C20S18sing1.76Å1.79Å
C11C12sing1.51Å1.52Å
C11N10sing1.47Å1.42Å
C16C15sing1.38Å1.36ÅAromatic
C12C13doub1.38Å1.39ÅAromatic
C15N14doub1.32Å1.28ÅAromatic
N10S18sing1.66Å1.67Å
N10C09sing1.47Å1.39Å
C13N14sing1.32Å1.24ÅAromatic
O30S18doub1.42Å1.26Å
S18O19doub1.42Å1.27Å
C09C08sing1.51Å1.51Å
C31C08doub1.38Å1.36ÅAromatic
C31C32sing1.38Å1.32ÅAromatic
C08C07sing1.38Å1.35ÅAromatic
C32C05doub1.40Å1.31ÅAromatic
C07C06doub1.38Å1.33ÅAromatic
C05C06sing1.40Å1.40ÅAromatic
C05C02sing1.48Å1.43Å
C02O01doub1.22Å1.24Å
C02N03sing1.35Å1.35Å
N03O04sing1.42Å1.18Å
C06H1sing1.08Å1.08Å
C07H2sing1.08Å1.08Å
C09H3sing1.09Å1.10Å
C09H4sing1.09Å1.10Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C13H7sing1.08Å1.08Å
C15H8sing1.08Å1.08Å
C16H9sing1.08Å1.08Å
C17H10sing1.08Å1.08Å
C21H11sing1.08Å1.08Å
C31H12sing1.08Å1.08Å
C32H13sing1.08Å1.08Å
N03H14sing0.97Å1.00Å
O04H15sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
F23C22C24120.8°119.9°
F23C22C21121.6°120.0°
F25C24C22117.4°120.1°
F25C24C26118.8°120.1°
C24C22C21117.6°120.0°
C22C24C26123.8°119.9°
C22C21C20119.6°120.1°
C22C21H11120.2°120.0°
C24C26F27122.2°120.0°
C24C26C28117.4°120.0°
C21C20C28122.1°120.1°
C21C20S18119.5°120.0°
C20C21H11120.2°119.9°
F27C26C28120.4°120.0°
C26C28C20119.5°120.0°
C26C28F29121.7°120.0°
C16C17C12119.2°118.4°
C17C16C15117.6°119.2°
C17C16H9121.2°120.4°
C16C17H10120.4°120.8°
C17C12C11117.8°120.4°
C17C12C13117.9°119.2°
C12C17H10120.4°120.8°
C20C28F29118.7°120.0°
C28C20S18118.3°120.0°
C20S18N10106.7°107.2°
C20S18O30108.0°106.4°
C20S18O19112.3°106.4°
C12C11N10115.0°109.4°
C11C12C13124.2°120.4°
C12C11H5108.1°109.5°
C12C11H6108.0°109.5°
C11N10S18119.0°120.0°
C11N10C09118.1°120.0°
N10C11H5108.1°109.4°
N10C11H6108.1°109.5°
C16C15N14122.4°120.8°
C16C15H8118.8°119.6°
C15C16H9121.2°120.4°
C12C13N14121.2°120.8°
C12C13H7119.4°119.7°
C15N14C13121.6°121.7°
N14C15H8118.8°119.6°
S18N10C09117.5°120.0°
N10S18O30104.5°106.4°
N10S18O19115.2°106.4°
N10C09C08112.7°109.4°
N10C09H3108.7°109.5°
N10C09H4108.6°109.4°
N14C13H7119.4°119.6°
O30S18O19109.6°123.2°
C09C08C31117.4°119.8°
C09C08C07122.1°119.9°
C08C09H3108.6°109.5°
C08C09H4108.7°109.4°
C08C31C32121.7°120.1°
C31C08C07120.4°120.3°
C08C31H12119.1°119.9°
C31C32C05117.3°119.8°
C32C31H12119.1°120.0°
C31C32H13121.3°120.1°
C08C07C06119.3°120.1°
C08C07H2120.3°119.9°
C32C05C06123.6°119.7°
C32C05C02117.9°120.1°
C05C32H13121.4°120.0°
C07C06C05117.3°119.8°
C07C06H1121.4°120.1°
C06C07H2120.4°119.9°
C06C05C02117.3°120.1°
C05C06H1121.3°120.1°
C05C02O01122.7°120.0°
C05C02N03110.4°120.0°
O01C02N03124.9°120.0°
C02N03O04117.4°120.0°
C02N03H14121.3°119.9°
O04N03H14121.3°120.1°
N03O04H15109.5°114.0°
H3C09H4109.4°109.5°
H5C11H6109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
F23C22C24F251.9°0.1°
F23C22C24C21178.8°179.9°
F23C22C24C26179.9°180.0°
F23C22C21C20178.7°180.0°
F23C22C21H111.3°0.0°
F25C24C22C26178.0°180.0°
F25C24C22C21179.3°180.0°
F25C24C26F270.3°0.0°
F25C24C26C28178.4°179.7°
C24C22C21C202.5°0.0°
C22C24C26F27177.6°180.0°
C22C24C26C280.5°0.2°
C24C22C21H11177.5°180.0°
C21C22C24C261.3°0.0°
C22C21C20H11180.0°180.0°
C22C21C20C283.1°0.2°
C22C21C20S18179.5°180.0°
C24C26F27C28178.0°179.8°
C24C26C28C200.9°0.5°
C24C26C28F29177.6°180.0°
C21C20C28C262.2°0.5°
C21C20C28S18177.5°179.8°
C21C20C28F29179.0°180.0°
C21C20S18N10101.2°115.0°
C21C20S18O3010.6°1.5°
C21C20S18O19131.7°131.5°
F27C26C28C20177.2°179.8°
F27C26C28F290.6°0.2°
C26C28C20F29176.8°179.6°
C26C28C20S18179.7°179.8°
C16C17C12H10180.0°180.0°
C16C17C12C11179.4°180.0°
C17C16C15H9180.0°179.8°
C16C17C12C131.7°0.3°
C17C16C15N141.1°0.2°
C17C16C15H8178.9°180.0°
C17C12C11C13178.8°179.7°
C17C12C11N10107.7°82.6°
C12C17C16C151.7°0.1°
C17C12C13N141.1°0.3°
C17C12C11H5131.5°37.3°
C17C12C11H613.1°157.4°
C17C12C13H7178.9°179.7°
C12C17C16H9178.3°179.7°
C28C20S18N1076.3°65.2°
C28C20S18O30171.8°178.8°
C28C20S18O1950.8°48.3°
C28C20C21H11176.9°179.8°
F29C28C20S183.5°0.2°
C20S18N10C1169.9°90.0°
C20S18N10O30114.3°113.6°
C20S18N10O19125.4°113.5°
C20S18N10C0983.7°90.0°
C20S18O30O19122.7°123.0°
S18C20C21H110.5°0.0°
C12C11N10H5120.8°120.0°
C12C11N10H6120.8°120.0°
C12C11N10S1887.4°96.7°
C12C11N10C09119.2°83.4°
C11C12C13N14179.9°180.0°
C12C11H5H6117.4°120.0°
C11C12C13H70.1°0.1°
C11C12C17H100.6°0.0°
N10C11C12C1371.1°97.7°
C11N10S18C09153.6°179.9°
C11N10S18O3044.4°156.5°
C11N10S18O19164.7°23.6°
C11N10C09C0888.1°85.4°
C11N10C09H332.4°34.7°
C11N10C09H4151.4°154.7°
N10C11H5H6117.5°120.0°
C16C15N14H8180.0°179.8°
C16C15N14C130.5°0.2°
C15C16C17H10178.3°180.0°
C12C13N14C150.5°0.0°
C12C13N14H7180.0°179.9°
C13C12C11H549.7°142.3°
C13C12C11H6168.1°22.3°
C13C12C17H10178.3°179.7°
C15N14C13H7179.5°180.0°
N14C15C16H9178.9°180.0°
N10S18O30O19124.0°122.9°
S18N10C09C08118.0°94.7°
S18N10C09H3121.5°145.3°
S18N10C09H42.5°25.3°
S18N10C11H5151.8°23.3°
S18N10C11H633.4°143.3°
C09N10S18O30162.1°23.6°
C09N10S18O1941.8°156.5°
N10C09C08H3120.5°120.1°
N10C09C08H4120.5°119.9°
N10C09C08C31141.0°97.2°
N10C09C08C0736.4°82.8°
N10C09H3H4118.5°120.0°
C09N10C11H51.6°156.7°
C09N10C11H6120.0°36.6°
C13N14C15H8179.5°180.0°
C09C08C31C07177.4°180.0°
C09C08C31C32178.5°179.8°
C09C08C07C06179.4°180.0°
C09C08C07H20.6°0.0°
C08C09H3H4118.5°120.0°
C09C08C31H121.5°0.0°
C08C31C32H12180.0°179.7°
C08C31C32C054.9°0.5°
C31C08C07C063.4°0.0°
C31C08C07H2176.6°180.0°
C31C08C09H320.5°22.8°
C31C08C09H498.5°142.8°
C08C31C32H13175.1°179.9°
C32C31C08C074.1°0.3°
C31C32C05H13180.0°179.5°
C31C32C05C065.3°0.6°
C31C32C05C02172.6°179.8°
C08C07C06H2180.0°180.0°
C08C07C06C053.6°0.1°
C08C07C06H1176.5°180.0°
C07C08C09H3156.9°157.1°
C07C08C09H484.1°37.1°
C07C08C31H12175.9°180.0°
C32C05C06C074.8°0.3°
C32C05C06C02167.3°179.7°
C32C05C02O0129.9°179.7°
C32C05C02N03165.4°0.0°
C32C05C06H1175.3°179.7°
C05C32C31H12175.1°179.7°
C07C06C05H1180.0°180.0°
C07C06C05C02172.1°180.0°
C06C05C02O01138.2°0.0°
C06C05C02N0326.6°179.7°
C05C06C07H2176.5°180.0°
C06C05C32H13174.7°179.9°
C05C02O01N03162.5°179.7°
C05C02N03O04161.4°179.7°
C02C05C06H17.9°0.0°
C02C05C32H137.4°0.2°
C05C02N03H1418.6°0.3°
O01C02N03O042.9°0.0°
O01C02N03H14177.1°180.0°
C02N03O04H14180.0°180.0°
C02N03O04H151.3°180.0°
H1C06C07H23.5°0.0°
H8C15C16H91.1°0.2°
H9C16C17H101.7°0.2°
H12C31C32H134.9°0.2°
H14N03O04H15178.7°0.0°

246905

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