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O3F

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.52Å
N1C1sing1.35Å1.33Å
N1C3sing1.46Å1.46Å
C1O1doub1.21Å1.26Å
C5C4sing1.54Å1.54Å
C5C6sing1.53Å1.55Å
C3C4sing1.53Å1.52Å
C21C22sing1.53Å1.51Å
C21N2sing1.47Å1.47Å
C4C23sing1.54Å1.55Å
C8N2sing1.47Å1.47Å
C8C7sing1.53Å1.51Å
C6C22sing1.53Å1.53Å
C6C7sing1.53Å1.53Å
C6C23sing1.53Å1.54Å
N2C9sing1.35Å1.35Å
C20C19sing1.53Å1.51Å
C20C10sing1.53Å1.54Å
C9O2doub1.21Å1.23Å
C9C10sing1.51Å1.54Å
C19O3sing1.43Å1.43Å
C10N3sing1.46Å1.48Å
C10C17sing1.53Å1.55Å
O3C18sing1.43Å1.43Å
N3C11sing1.40Å1.38Å
C17C18sing1.53Å1.51Å
C11C16doub1.39Å1.40ÅAromatic
C11C12sing1.39Å1.41ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C12C13doub1.38Å1.38ÅAromatic
C15C14doub1.38Å1.38ÅAromatic
C13C14sing1.38Å1.38ÅAromatic
C14CL2sing1.74Å1.74Å
C4H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C12H8sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
N1H10sing0.97Å1.00Å
C3H11sing1.09Å1.10Å
C3H12sing1.09Å1.10Å
N3H13sing0.97Å1.00Å
C2H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
C2CL1sing1.80Å1.07Å
C15H17sing1.08Å1.08Å
C16H18sing1.08Å1.08Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C20H25sing1.09Å1.10Å
C20H26sing1.09Å1.10Å
C21H27sing1.09Å1.10Å
C21H28sing1.09Å1.10Å
C22H29sing1.09Å1.10Å
C22H30sing1.09Å1.10Å
C23H31sing1.09Å1.10Å
C23H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1N1118.1°120.0°
C2C1O1119.3°120.0°
C1C2H14109.5°109.5°
C1C2H15109.5°109.5°
C1C2CL1109.2°109.5°
C1N1C3121.8°120.0°
N1C1O1122.2°120.0°
C1N1H10119.1°120.0°
N1C3C4113.2°109.5°
C3N1H10119.1°120.0°
N1C3H11108.6°109.5°
N1C3H12108.6°109.5°
C4C5C688.7°86.9°
C5C4C3121.4°113.7°
C5C4C2386.8°87.2°
C5C4H1109.1°113.6°
C4C5H2114.4°113.6°
C4C5H3114.4°113.6°
C5C6C22116.6°113.5°
C5C6C7115.4°113.5°
C5C6C2387.0°87.5°
C6C5H2114.4°113.7°
C6C5H3114.4°113.6°
C3C4C23118.9°113.6°
C3C4H1109.5°112.8°
C4C3H11108.5°109.4°
C4C3H12108.5°109.5°
C22C21N2110.7°108.8°
C21C22C6113.3°109.1°
C22C21H27109.2°109.6°
C22C21H28109.1°109.5°
C21C22H29108.5°109.6°
C21C22H30108.5°109.5°
C21N2C8109.4°119.0°
C21N2C9124.5°120.5°
N2C21H27109.2°109.6°
N2C21H28109.2°109.6°
C4C23C688.6°86.9°
C23C4H1109.0°113.6°
C4C23H31114.4°113.6°
C4C23H32114.4°113.6°
N2C8C7109.8°108.8°
C8N2C9126.0°120.5°
N2C8H6109.4°109.6°
N2C8H7109.4°109.5°
C8C7C6111.5°109.1°
C8C7H4108.9°109.5°
C8C7H5109.0°109.6°
C7C8H6109.4°109.6°
C7C8H7109.4°109.6°
C22C6C7108.9°113.0°
C22C6C23115.6°113.5°
C6C22H29108.5°109.5°
C6C22H30108.5°109.5°
C7C6C23112.0°113.5°
C6C7H4109.0°109.5°
C6C7H5109.0°109.6°
C6C23H31114.4°113.6°
C6C23H32114.4°113.6°
N2C9O2116.5°120.0°
N2C9C10123.5°120.0°
C19C20C10111.1°109.1°
C20C19O3112.3°109.5°
C20C19H23108.7°109.4°
C20C19H24108.7°109.5°
C19C20H25109.0°109.5°
C19C20H26109.1°109.5°
C20C10C9108.1°109.5°
C20C10N3110.5°109.6°
C20C10C17107.5°109.1°
C10C20H25109.1°109.4°
C10C20H26109.1°109.6°
O2C9C10119.8°120.0°
C9C10N3115.1°109.6°
C9C10C17110.5°109.5°
C19O3C18111.6°114.1°
O3C19H23108.8°109.5°
O3C19H24108.8°109.5°
N3C10C17104.9°109.5°
C10N3C11122.0°120.0°
C10N3H13106.2°120.1°
C10C17C18112.2°109.2°
C10C17H19108.8°109.5°
C10C17H20108.8°109.5°
O3C18C17111.0°109.4°
O3C18H21109.1°109.5°
O3C18H22109.1°109.5°
N3C11C16125.3°120.0°
N3C11C12116.5°120.0°
C11N3H13106.2°120.0°
C18C17H19108.8°109.5°
C18C17H20108.8°109.5°
C17C18H21109.1°109.5°
C17C18H22109.1°109.5°
C16C11C12117.9°119.9°
C11C16C15120.6°120.0°
C11C16H18119.7°120.1°
C11C12C13121.3°119.9°
C11C12H8119.4°120.1°
C16C15C14119.7°120.0°
C16C15H17120.2°120.0°
C15C16H18119.7°120.0°
C12C13C14119.1°120.1°
C13C12H8119.4°120.1°
C12C13H9120.4°119.9°
C15C14C13121.2°120.1°
C15C14CL2118.6°120.0°
C14C15H17120.2°120.0°
C13C14CL2120.1°119.9°
C14C13H9120.5°119.9°
H2C5H3109.5°113.0°
H4C7H5109.5°109.5°
H6C8H7109.5°109.7°
H11C3H12109.5°109.5°
H14C2H15109.5°109.5°
H14C2CL1109.5°109.4°
H15C2CL1109.6°109.5°
H19C17H20109.5°109.6°
H21C18H22109.5°109.5°
H23C19H24109.5°109.5°
H25C20H26109.5°109.6°
H27C21H28109.5°109.7°
H29C22H30109.5°109.6°
H31C23H32109.5°113.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1N1O1173.1°180.0°
C2C1N1C3166.9°180.0°
C2C1N1H1013.1°0.0°
C1C2H14H15120.1°120.0°
C1C2H14CL1119.7°120.0°
C1C2H15CL1119.8°120.0°
C1N1C3H10180.0°180.0°
C1N1C3C4147.8°180.0°
C1N1C3H1191.7°60.0°
C1N1C3H1227.2°60.0°
N1C1C2H14113.9°60.0°
N1C1C2H156.2°60.0°
N1C1C2CL1126.2°180.0°
C3N1C1O16.2°0.0°
N1C3C4C540.9°87.4°
N1C3C4H11120.6°120.0°
N1C3C4H12120.6°120.0°
N1C3C4C2364.3°175.0°
N1C3C4H1169.5°43.9°
N1C3H11H12118.3°120.0°
O1C1N1H10173.8°180.0°
O1C1C2H1459.4°120.0°
O1C1C2H15179.5°120.0°
O1C1C2CL160.5°0.0°
C4C5C6H2116.3°114.5°
C4C5C6H3116.3°114.5°
C5C4C3C23105.2°97.7°
C5C4C3H1128.6°131.2°
C5C4C23H1109.1°114.6°
C4C5C6C22139.6°139.8°
C4C5C6C790.6°89.4°
C4C5C6C2322.4°25.2°
C4C5H2H3129.9°131.3°
C5C4C3H1179.7°32.6°
C5C4C3H12161.5°152.6°
C5C4C23H31138.6°139.7°
C5C4C23H3294.0°89.3°
C6C5C4C3144.5°139.8°
C5C6C22C2183.0°73.3°
C5C6C7C881.0°73.2°
C5C6C22C7132.8°131.0°
C5C6C22C23100.1°97.8°
C5C6C7C2397.5°97.9°
C6C5C4H186.8°89.4°
C6C5H2H3129.8°131.3°
C5C6C7H4158.7°46.6°
C5C6C7H539.3°166.8°
C5C6C22H2937.5°166.9°
C5C6C22H30156.4°46.6°
C5C6C23H31138.5°139.8°
C5C6C23H3294.1°89.2°
C3C4C23H1126.4°130.7°
C3C4C23C6146.7°139.9°
C3C4C5H228.2°25.2°
C3C4C5H399.2°105.8°
C4C3N1H1032.2°0.0°
C4C3H11H12118.3°120.0°
C3C4C23H3197.0°105.7°
C3C4C23H3230.5°25.4°
C22C21N2H27120.2°119.8°
C22C21N2H28120.2°119.7°
C22C21N2C860.2°55.5°
C21C22C6H29120.6°119.9°
C21C22C6H30120.6°119.9°
C21C22C6C749.8°57.8°
C21C22C6C23176.9°171.1°
C22C21N2C9116.7°124.5°
C22C21H27H28119.4°120.3°
C21C22H29H30118.3°120.2°
C21N2C8C9176.9°180.0°
C21N2C8C763.4°55.5°
N2C21C22C654.5°52.5°
C21N2C9O20.7°177.2°
C21N2C9C10176.6°2.8°
C21N2C8H6176.5°64.4°
C21N2C8H756.6°175.2°
N2C21H27H28119.5°120.4°
N2C21C22H29175.1°67.3°
N2C21C22H3066.1°172.4°
C4C23C6C22140.5°139.8°
C4C23C6C794.0°89.4°
C4C23C6H31116.3°114.5°
C4C23C6H32116.3°114.4°
C23C4C5H294.0°89.4°
C23C4C5H3138.5°139.6°
C23C4C3H11175.1°65.1°
C23C4C3H1256.3°54.9°
C4C23H31H32129.9°131.3°
N2C8C7H6120.0°119.8°
N2C8C7H7120.0°119.7°
N2C8C7C660.5°52.5°
C8N2C9O2177.2°2.8°
C8N2C9C107.0°177.3°
N2C8C7H459.8°172.4°
N2C8C7H5179.2°67.4°
N2C8H6H7119.9°120.3°
C8N2C21H27179.6°64.3°
C8N2C21H2860.0°175.2°
C8C7C6C2252.4°57.8°
C8C7C6H4120.3°119.9°
C8C7C6H5120.3°120.0°
C8C7C6C23178.5°171.1°
C7C8N2C9113.4°124.5°
C8C7H4H5119.1°120.2°
C7C8H6H7119.9°120.4°
C22C6C7C23129.1°131.1°
C22C6C5H223.3°25.3°
C22C6C5H3104.1°105.7°
C22C6C7H467.9°177.7°
C22C6C7H5172.7°62.2°
C6C22C21H27174.7°67.2°
C6C22C21H2865.7°172.3°
C6C22H29H30118.2°120.2°
C22C6C23H31103.3°105.7°
C22C6C23H3224.2°25.3°
C7C6C5H2153.1°156.1°
C7C6C5H325.7°25.1°
C6C7H4H5119.1°120.2°
C6C7C8H6179.4°67.3°
C6C7C8H759.5°172.3°
C7C6C22H29170.3°62.1°
C7C6C22H3070.8°177.6°
C7C6C23H3122.3°25.1°
C7C6C23H32149.7°156.2°
C6C23C4H186.8°89.4°
C23C6C5H293.9°89.3°
C23C6C5H3138.7°139.7°
C23C6C7H461.2°51.2°
C23C6C7H558.2°68.9°
C23C6C22H2962.5°69.0°
C23C6C22H3056.3°51.2°
C6C23H31H32129.9°131.4°
N2C9C10C2069.4°169.1°
N2C9O2C10176.0°179.9°
N2C9C10N354.6°48.9°
N2C9C10C17173.2°71.2°
C9N2C8H66.6°115.7°
C9N2C8H7126.6°4.7°
C9N2C21H273.5°115.7°
C9N2C21H28123.1°4.7°
C19C20C10H25120.2°119.8°
C19C20C10H26120.3°120.0°
C19C20C10C9170.5°176.7°
C20C19O3H23120.4°119.9°
C20C19O3H24120.4°120.0°
C19C20C10N362.8°63.1°
C19C20C10C1751.2°56.8°
C20C19O3C1860.4°61.2°
C20C19H23H24118.7°120.0°
C19C20H25H26119.3°120.2°
C20C10C9O2106.3°10.8°
C20C10C9N3124.0°120.2°
C20C10C9C17117.4°119.6°
C10C20C19O356.8°57.5°
C20C10N3C17115.6°119.6°
C20C10N3C11157.4°63.4°
C20C10C17C1851.9°56.9°
C20C10N3H1380.9°116.5°
C20C10C17H19172.3°176.9°
C20C10C17H2068.6°63.0°
C10C20C19H23177.2°62.5°
C10C20C19H2463.6°177.5°
C10C20H25H26119.3°120.2°
O2C9C10N3129.7°131.0°
O2C9C10C1711.2°108.8°
C9C10N3C17121.7°120.1°
C9C10N3C1134.7°56.8°
C9C10C17C18169.6°176.8°
C9C10N3H13156.4°123.3°
C9C10C17H1970.0°63.2°
C9C10C17H2049.2°56.9°
C9C10C20H2569.3°56.9°
C9C10C20H2650.2°63.3°
C19O3C18C1759.7°61.2°
C19O3C18H21179.9°58.8°
C19O3C18H2260.6°178.8°
O3C19H23H24118.7°120.0°
O3C19C20H25177.0°62.2°
O3C19C20H2663.5°177.5°
C10N3C11H13121.7°179.9°
N3C10C17C1865.8°63.0°
C10N3C11C1615.5°178.4°
C10N3C11C12157.9°1.9°
N3C10C17H1954.6°56.9°
N3C10C17H20173.8°177.1°
N3C10C20H2557.4°177.1°
N3C10C20H26176.9°56.9°
C10C17C18O356.7°57.6°
C17C10N3C1187.0°176.9°
C10C17C18H19120.4°119.9°
C10C17C18H20120.4°119.9°
C17C10N3H1334.8°3.1°
C10C17H19H20118.7°120.1°
C10C17C18H21177.0°62.3°
C10C17C18H2263.5°177.6°
C17C10C20H25171.4°63.0°
C17C10C20H2669.1°176.8°
O3C18C17H21120.2°119.9°
O3C18C17H22120.2°120.0°
O3C18C17H19177.2°177.5°
O3C18C17H2063.7°62.3°
O3C18H21H22119.3°120.0°
C18O3C19H23179.2°58.8°
C18O3C19H2460.0°178.8°
N3C11C16C12173.4°179.7°
N3C11C16C15177.7°180.0°
N3C11C12C13177.3°180.0°
N3C11C12H82.7°0.3°
N3C11C16H182.3°0.3°
C18C17H19H20118.8°120.2°
C17C18H21H22119.3°120.1°
C11C16C15H18180.0°179.8°
C16C11C12C133.4°0.3°
C11C16C15C145.0°0.0°
C16C11C12H8176.6°180.0°
C16C11N3H13106.2°1.5°
C11C16C15H17175.0°180.0°
C12C11C16C154.3°0.3°
C11C12C13H8180.0°179.7°
C11C12C13C143.0°0.1°
C11C12C13H9177.0°180.0°
C12C11N3H1380.4°178.2°
C12C11C16H18175.7°180.0°
C16C15C14H17180.0°180.0°
C16C15C14C134.7°0.3°
C16C15C14CL2178.4°180.0°
C12C13C14C153.6°0.2°
C12C13C14H9180.0°179.9°
C12C13C14CL2179.4°179.9°
C15C14C13CL2176.9°179.7°
C15C14C13H9176.4°179.7°
C14C15C16H18175.0°179.8°
C14C13C12H8177.0°179.7°
C13C14C15H17175.3°179.8°
CL2C14C13H90.6°0.0°
CL2C14C15H171.7°0.0°
H1C4C5H2156.9°156.1°
H1C4C5H329.5°25.1°
H1C4C3H1148.9°163.8°
H1C4C3H1270.0°76.2°
H1C4C23H3129.4°25.0°
H1C4C23H32156.9°156.1°
H4C7C8H660.3°52.6°
H4C7C8H7179.8°67.9°
H5C7C8H659.1°172.8°
H5C7C8H760.8°52.3°
H8C12C13H93.0°0.4°
H10N1C3H1188.3°120.0°
H10N1C3H12152.8°120.0°
H14C2H15CL1120.1°120.0°
H17C15C16H185.0°0.2°
H19C17C18H2162.6°57.6°
H19C17C18H2256.9°62.5°
H20C17C18H2156.6°177.8°
H20C17C18H22176.1°57.7°
H23C19C20H2562.5°177.7°
H23C19C20H2657.0°57.5°
H24C19C20H2556.6°57.8°
H24C19C20H26176.1°62.5°
H27C21C22H2964.7°172.9°
H27C21C22H3054.1°52.6°
H28C21C22H2954.9°52.5°
H28C21C22H30173.7°67.8°

222415

PDB entries from 2024-07-10

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