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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3C18sing1.36Å1.36Å
C18C17doub1.38Å1.39ÅAromatic
C18C19sing1.39Å1.39ÅAromatic
C17C16sing1.39Å1.39ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C16C15sing1.51Å1.52Å
C16C21doub1.38Å1.39ÅAromatic
C20C21sing1.39Å1.39ÅAromatic
C15C14sing1.54Å1.52Å
C21C2sing1.50Å1.48Å
C14C12sing1.53Å1.52Å
C2C12sing1.53Å1.52Å
C2C3sing1.52Å1.53Å
C12C10sing1.52Å1.52Å
C3C4sing1.54Å1.54Å
C10C9sing1.53Å1.52Å
C10C5sing1.55Å1.52Å
C4C5sing1.51Å1.52Å
C9C8sing1.55Å1.53Å
C6C5sing1.53Å1.53Å
C5C7sing1.52Å1.52Å
C8C7sing1.55Å1.53Å
C8BR2sing1.97Å2.02Å
C7O1sing1.43Å1.43Å
C8H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
O1H3sing0.97Å0.95Å
C6H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C3H9sing1.09Å1.10Å
C3H10sing1.09Å1.10Å
C2H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C9H14sing1.09Å1.10Å
C9H15sing1.09Å1.10Å
C20H16sing1.08Å1.08Å
C19H17sing1.08Å1.08Å
O3H18sing0.97Å0.95Å
C17H19sing1.08Å1.08Å
C15H20sing1.09Å1.10Å
C15H21sing1.09Å1.10Å
C14H22sing1.09Å1.10Å
C14H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C18C17120.0°120.2°
O3C18C19120.1°120.1°
C18O3H18109.5°114.0°
C17C18C19119.8°119.7°
C18C17C16120.7°120.6°
C18C17H19119.7°119.7°
C18C19C20119.6°119.6°
C18C19H17120.2°120.2°
C17C16C15118.4°117.6°
C17C16C21119.5°119.5°
C16C17H19119.7°119.7°
C19C20C21120.6°120.7°
C19C20H16119.7°119.7°
C20C19H17120.2°120.2°
C15C16C21122.1°122.9°
C16C15C14110.9°111.3°
C16C15H20109.1°109.1°
C16C15H21109.1°109.1°
C16C21C20119.8°119.9°
C16C21C2121.6°121.8°
C20C21C2118.5°118.3°
C21C20H16119.7°119.7°
C15C14C12108.5°107.8°
C14C15H20109.1°109.2°
C14C15H21109.1°109.0°
C15C14H22109.7°109.7°
C15C14H23109.7°109.7°
C21C2C12112.0°110.1°
C21C2C3112.5°111.6°
C21C2H11107.8°107.3°
C14C12C2108.9°107.8°
C14C12C10113.5°111.7°
C14C12H12109.8°110.6°
C12C14H22109.7°110.0°
C12C14H23109.7°109.8°
C12C2C3109.4°111.5°
C2C12C10104.9°106.5°
C12C2H11107.5°107.9°
C2C12H12109.8°109.8°
C2C3C4112.8°110.7°
C2C3H9108.7°109.2°
C2C3H10108.6°109.2°
C3C2H11107.3°108.2°
C12C10C9117.7°115.5°
C12C10C5111.9°106.2°
C10C12H12109.8°110.3°
C12C10H13107.4°110.5°
C3C4C5109.5°107.6°
C3C4H7109.5°109.8°
C3C4H8109.5°109.9°
C4C3H9108.6°109.2°
C4C3H10108.6°109.2°
C9C10C5104.7°101.5°
C10C9C8103.8°102.9°
C9C10H13107.3°110.5°
C10C9H14110.8°110.8°
C10C9H15110.9°110.7°
C10C5C4108.1°107.5°
C10C5C6111.8°109.6°
C10C5C7101.1°103.3°
C5C10H13107.4°112.3°
C4C5C6109.8°109.6°
C4C5C7117.1°116.8°
C5C4H7109.4°109.9°
C5C4H8109.5°109.8°
C9C8C7106.8°106.4°
C9C8BR2110.6°110.1°
C9C8H1110.7°110.1°
C8C9H14110.9°111.1°
C8C9H15110.9°110.3°
C6C5C7108.6°109.6°
C5C6H4109.5°109.4°
C5C6H5109.4°109.5°
C5C6H6109.5°109.5°
C5C7C8104.8°105.3°
C5C7O1110.9°110.3°
C5C7H2109.7°110.4°
C7C8BR2112.5°110.1°
C8C7O1110.7°110.3°
C7C8H1110.7°110.1°
C8C7H2109.6°110.3°
BR2C8H1105.6°110.1°
O1C7H2111.1°110.3°
C7O1H3109.5°114.0°
H4C6H5109.4°109.4°
H4C6H6109.5°109.5°
H5C6H6109.5°109.5°
H7C4H8109.5°109.8°
H9C3H10109.4°109.3°
H14C9H15109.5°110.8°
H20C15H21109.5°109.1°
H22C14H23109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C18C17C19179.7°180.0°
O3C18C17C16179.6°179.9°
O3C18C19C20179.9°179.7°
O3C18C19H170.1°0.3°
O3C18C17H190.4°0.2°
C18C17C16H19180.0°179.9°
C17C18C19C200.2°0.3°
C18C17C16C15179.7°179.4°
C18C17C16C210.0°0.2°
C17C18C19H17179.8°179.7°
C17C18O3H18180.0°90.0°
C19C18C17C160.7°0.1°
C18C19C20H17180.0°180.0°
C18C19C20C210.9°0.1°
C18C19C20H16179.1°180.0°
C19C18O3H180.3°90.1°
C19C18C17H19179.3°179.8°
C17C16C15C21179.7°179.6°
C17C16C21C201.1°0.4°
C17C16C15C14162.4°165.3°
C17C16C21C2178.7°179.3°
C17C16C15H2077.4°74.2°
C17C16C15H2142.2°44.9°
C19C20C21C161.6°0.3°
C19C20C21H16180.0°179.9°
C19C20C21C2179.3°179.5°
C15C16C21C20179.2°179.1°
C16C15C14H20120.2°120.6°
C16C15C14H21120.2°120.4°
C15C16C21C21.6°1.1°
C16C15C14C1250.4°48.7°
C15C16C17H190.3°0.6°
C16C15H20H21119.3°119.1°
C16C15C14H22170.2°71.1°
C16C15C14H2369.5°168.2°
C16C21C20C2177.7°179.8°
C21C16C15C1417.9°15.1°
C16C21C2C1218.5°21.3°
C16C21C2C3142.2°145.7°
C16C21C2H1199.6°95.9°
C16C21C20H16178.5°179.6°
C21C16C17H19180.0°179.8°
C21C16C15H20102.3°105.4°
C21C16C15H21138.2°135.5°
C20C21C2C12163.9°158.9°
C20C21C2C340.1°34.6°
C20C21C2H1178.0°83.8°
C21C20C19H17179.1°179.9°
C15C14C12H22119.8°119.6°
C15C14C12H23119.8°119.5°
C15C14C12C268.8°70.4°
C15C14C12C10174.7°172.9°
C15C14C12H1251.4°49.6°
C14C15H20H21119.3°119.0°
C15C14H22H23120.4°120.7°
C21C2C12C1451.4°55.1°
C21C2C12C3125.4°124.5°
C21C2C12H11118.3°116.9°
C21C2C3H11118.5°117.9°
C21C2C12C10173.2°175.2°
C21C2C3C4176.6°179.5°
C21C2C3H956.1°59.2°
C21C2C3H1062.9°60.2°
C21C2C12H1268.8°65.4°
C2C21C20H160.8°0.6°
C14C12C2C10121.8°120.1°
C14C12C2H12120.2°120.6°
C14C12C2C3176.8°179.6°
C14C12C10H12123.3°123.5°
C14C12C10C953.3°64.8°
C14C12C10C5174.6°176.5°
C14C12C2H1166.9°61.7°
C14C12C10H1367.8°61.5°
C12C14C15H2069.8°71.9°
C12C14C15H21170.6°169.1°
C12C14H22H23120.5°120.9°
C12C2C3H11116.4°118.5°
C2C12C10H12118.0°119.0°
C12C2C3C458.3°56.0°
C2C12C10C9172.0°177.7°
C2C12C10C566.7°66.0°
C12C2C3H9178.8°64.4°
C12C2C3H1062.2°176.2°
C2C12C10H1350.9°56.0°
C2C12C14H22171.3°49.2°
C2C12C14H2351.0°170.1°
C3C2C12C1061.4°60.3°
C2C3C4H9120.5°120.3°
C2C3C4H10120.5°120.2°
C2C3C4C553.8°57.0°
C2C3C4H766.1°176.6°
C2C3C4H8173.8°62.5°
C2C3H9H10118.5°119.4°
C3C2C12H1256.6°59.0°
C12C10C9C5125.0°114.4°
C12C10C9H13121.1°126.3°
C12C10C5H13117.6°120.9°
C12C10C5C464.0°70.2°
C12C10C9C8158.2°156.1°
C12C10C5C657.0°48.8°
C12C10C5C7172.3°165.7°
C10C12C2H1154.9°58.3°
C12C10C9H1439.1°85.1°
C12C10C9H1582.7°38.2°
C10C12C14H2254.9°67.5°
C10C12C14H2365.5°53.4°
C3C4C5C1054.5°64.0°
C3C4C5H7120.0°119.6°
C3C4C5H8120.0°119.6°
C3C4C5C667.7°55.0°
C3C4C5C7167.8°179.5°
C3C4H7H8120.0°120.9°
C4C3H9H10118.5°119.4°
C4C3C2H1158.1°62.6°
C9C10C5H13113.9°118.0°
C9C10C5C4167.4°168.6°
C10C9C8H14119.1°118.6°
C10C9C8H15119.1°118.2°
C9C10C5C671.6°72.3°
C9C10C5C743.7°44.5°
C10C9C8C79.6°24.1°
C10C9C8BR2113.2°95.2°
C10C9C8H1130.2°143.3°
C9C10C12H1270.1°58.7°
C10C9H14H15122.6°123.2°
C10C5C4C6122.2°119.0°
C10C5C4C7113.4°115.5°
C5C10C9C833.2°41.7°
C10C5C6C7110.7°112.8°
C10C5C7C836.9°29.3°
C10C5C7O1156.4°148.2°
C10C5C7H280.6°89.7°
C10C5C6H4180.0°174.2°
C10C5C6H560.0°65.8°
C10C5C6H660.0°54.2°
C10C5C4H765.5°176.4°
C10C5C4H8174.5°55.6°
C5C10C12H1251.3°53.0°
C5C10C9H1485.9°160.5°
C5C10C9H15152.3°76.2°
C4C5C6C7129.3°129.5°
C4C5C7C8154.2°147.1°
C4C5C7O186.4°93.9°
C4C5C7H236.7°28.1°
C4C5C6H460.0°68.0°
C4C5C6H560.0°51.9°
C4C5C6H6180.0°172.0°
C5C4H7H8120.0°120.9°
C5C4C3H9174.4°63.3°
C5C4C3H1066.7°177.3°
C4C5C10H1353.5°50.6°
C9C8C7C517.2°3.5°
C9C8C7BR2121.6°119.2°
C9C8C7H1120.6°119.3°
C9C8BR2H1119.8°121.5°
C9C8C7O1136.8°122.4°
C9C8C7H2100.4°115.6°
C8C9C10H1380.7°77.6°
C8C9H14H15122.6°123.0°
C6C5C7C880.8°87.5°
C6C5C7O138.7°31.5°
C6C5C7H2161.7°153.6°
C5C6H4H5120.0°120.0°
C5C6H4H6120.0°120.0°
C5C6H5H6120.0°120.1°
C6C5C4H7172.3°64.5°
C6C5C4H852.3°174.6°
C6C5C10H13174.5°169.7°
C5C7C8O1119.6°118.9°
C5C7C8H2117.6°119.0°
C5C7C8BR2138.8°122.7°
C5C7O1H2122.3°122.1°
C5C7C8H1103.4°115.8°
C5C7O1H3180.0°177.3°
C7C5C6H469.3°61.4°
C7C5C6H5170.7°178.6°
C7C5C6H650.7°58.5°
C7C5C4H747.8°60.9°
C7C5C4H872.2°59.9°
C7C5C10H1370.1°73.5°
C7C8BR2H1120.8°121.5°
C8C7O1H2121.9°122.0°
C8C7O1H364.2°61.5°
C7C8C9H14109.5°142.7°
C7C8C9H15128.7°94.1°
BR2C8C7O1101.6°118.4°
BR2C8C7H221.2°3.7°
BR2C8C9H14127.7°23.4°
BR2C8C9H155.9°146.6°
O1C7C8H116.2°3.1°
H1C8C7H2139.0°125.1°
H1C8C9H1411.1°98.1°
H1C8C9H15110.7°25.1°
H2C7O1H357.7°60.5°
H4C6H5H6120.0°120.0°
H7C4C3H954.4°56.3°
H7C4C3H10173.3°63.2°
H8C4C3H965.7°177.2°
H8C4C3H1053.3°57.7°
H9C3C2H1162.4°177.1°
H10C3C2H11178.6°57.7°
H11C2C12H12172.9°177.7°
H12C12C10H13168.8°175.1°
H12C12C14H2268.4°169.3°
H12C12C14H23171.2°69.9°
H13C10C9H14160.2°41.2°
H13C10C9H1538.4°164.5°
H16C20C19H170.9°0.0°
H20C15C14H2250.0°168.3°
H20C15C14H23170.3°47.7°
H21C15C14H2269.6°49.3°
H21C15C14H2350.7°71.4°

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PDB entries from 2024-07-17

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