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9M8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
FC21sing1.35Å1.33Å
C22C21doub1.38Å1.40ÅAromatic
C22C23sing1.38Å1.38ÅAromatic
C21C12sing1.39Å1.41ÅAromatic
C23C24doub1.38Å1.37ÅAromatic
C20C19sing1.51Å1.53Å
C12Osing1.36Å1.34Å
C12C11doub1.40Å1.44ÅAromatic
C24C11sing1.39Å1.39ÅAromatic
OC13sing1.43Å1.46Å
C13C14sing1.53Å1.51Å
C19N4doub1.31Å1.32ÅAromatic
C19C15sing1.40Å1.41ÅAromatic
C11C8sing1.48Å1.47Å
C14C15sing1.51Å1.52Å
N4N3sing1.40Å1.40ÅAromatic
C15C16doub1.35Å1.42ÅAromatic
C8C9doub1.39Å1.39ÅAromatic
C8C7sing1.40Å1.37ÅAromatic
N3C16sing1.35Å1.33ÅAromatic
N3C18sing1.47Å1.47Å
C9C10sing1.40Å1.38ÅAromatic
C16C17sing1.51Å1.53Å
C7C6doub1.36Å1.44ÅAromatic
C1Nsing1.47Å1.49Å
C10C5doub1.41Å1.46ÅAromatic
C10C3sing1.46Å1.50ÅAromatic
C6C5sing1.39Å1.37ÅAromatic
C2Nsing1.47Å1.50Å
C2C3sing1.51Å1.50Å
NCsing1.47Å1.51Å
C5N2sing1.37Å1.32ÅAromatic
C3N1doub1.30Å1.35ÅAromatic
N2N1sing1.40Å1.43ÅAromatic
N2C4sing1.47Å1.48Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C23H18sing1.08Å1.08Å
C24H19sing1.08Å1.08Å
C6H20sing1.08Å1.08Å
C7H21sing1.08Å1.08Å
C9H22sing1.08Å1.08Å
C13H23sing1.09Å1.10Å
C13H24sing1.09Å1.10Å
C14H25sing1.09Å1.10Å
C14H26sing1.09Å1.10Å
C22H27sing1.08Å1.08Å
CH29sing1.09Å1.10Å
CH30sing1.09Å1.10Å
CH31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
FC21C22122.5°120.0°
FC21C12114.9°120.0°
C21C22C23117.8°120.3°
C22C21C12122.6°120.0°
C21C22H27121.1°119.9°
C22C23C24122.5°120.2°
C22C23H18118.7°119.9°
C23C22H27121.1°119.8°
C21C12O122.1°120.2°
C21C12C11116.9°119.8°
C23C24C11120.2°120.0°
C24C23H18118.8°119.8°
C23C24H19119.9°120.0°
C20C19N4124.5°125.9°
C20C19C15124.0°125.9°
C19C20H15109.5°109.4°
C19C20H16109.5°109.5°
C19C20H17109.4°109.4°
OC12C11120.8°120.1°
C12OC13119.9°117.0°
C12C11C24119.8°119.7°
C12C11C8124.2°120.1°
C24C11C8115.5°120.2°
C11C24H19119.9°120.0°
OC13C14108.0°109.5°
OC13H23109.9°109.5°
OC13H24109.8°109.5°
C13C14C15107.0°109.4°
C14C13H23109.8°109.5°
C14C13H24109.9°109.5°
C13C14H25110.1°109.5°
C13C14H26110.1°109.4°
N4C19C15111.4°108.2°
C19N4N3103.7°108.2°
C19C15C14133.5°126.0°
C19C15C16106.5°107.9°
C11C8C9118.7°119.9°
C11C8C7120.5°119.9°
C14C15C16120.0°126.0°
C15C14H25110.1°109.5°
C15C14H26110.1°109.5°
N4N3C16114.4°107.9°
N4N3C18116.0°126.0°
C15C16N3103.9°107.7°
C15C16C17126.4°126.1°
C9C8C7120.3°120.2°
C8C9C10119.1°119.4°
C8C9H22120.5°120.3°
C8C7C6122.9°120.7°
C8C7H21118.5°119.6°
C16N3C18129.6°126.0°
N3C16C17129.3°126.1°
N3C18H12109.5°109.5°
N3C18H13109.5°109.4°
N3C18H14109.5°109.4°
C9C10C5120.4°119.8°
C9C10C3132.9°133.9°
C10C9H22120.5°120.3°
C16C17H9109.5°109.4°
C16C17H10109.5°109.5°
C16C17H11109.4°109.5°
C7C6C5116.4°120.1°
C7C6H20121.8°120.0°
C6C7H21118.6°119.7°
C1NC2114.4°111.0°
C1NC110.5°111.0°
NC1H1109.5°109.5°
NC1H2109.5°109.5°
NC1H3109.5°109.5°
C5C10C3106.6°106.3°
C10C5C6120.7°119.7°
C10C5N2106.0°106.7°
C10C3C2130.6°126.1°
C10C3N1105.7°107.8°
C6C5N2133.2°133.6°
C5C6H20121.8°119.9°
NC2C3111.7°109.5°
C2NC113.5°111.0°
NC2H4108.9°109.4°
NC2H5108.9°109.5°
C2C3N1123.5°126.1°
C3C2H4108.9°109.5°
C3C2H5108.9°109.5°
NCH29109.5°109.4°
NCH30109.4°109.5°
NCH31109.4°109.4°
C5N2N1112.5°109.1°
C5N2C4131.8°125.5°
C3N1N2109.0°110.1°
N1N2C4115.5°125.5°
N2C4H6109.5°109.5°
N2C4H7109.5°109.5°
N2C4H8109.4°109.4°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.4°
H4C2H5109.5°109.4°
H6C4H7109.4°109.5°
H6C4H8109.5°109.5°
H7C4H8109.5°109.4°
H9C17H10109.4°109.5°
H9C17H11109.5°109.5°
H10C17H11109.5°109.5°
H12C18H13109.4°109.5°
H12C18H14109.5°109.5°
H13C18H14109.5°109.5°
H15C20H16109.4°109.5°
H15C20H17109.5°109.5°
H16C20H17109.5°109.6°
H23C13H24109.5°109.4°
H25C14H26109.5°109.5°
H29CH30109.4°109.5°
H29CH31109.5°109.5°
H30CH31109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
FC21C22C12178.4°180.0°
FC21C22C23178.5°179.7°
FC21C12O2.2°0.0°
FC21C12C11177.4°180.0°
FC21C22H271.5°0.0°
C21C22C23H27180.0°179.7°
C21C22C23C242.0°0.2°
C22C21C12O176.3°180.0°
C22C21C12C111.1°0.0°
C21C22C23H18178.0°179.8°
C23C22C21C120.1°0.2°
C22C23C24H18180.0°180.0°
C22C23C24C115.4°0.0°
C22C23C24H19174.6°180.0°
C21C12OC11175.0°180.0°
C21C12C11C244.4°0.3°
C21C12OC13101.5°90.0°
C21C12C11C8175.9°180.0°
C12C21C22H27179.9°180.0°
C23C24C11C126.5°0.3°
C23C24C11H19180.0°180.0°
C23C24C11C8178.7°180.0°
C24C23C22H27178.0°180.0°
C20C19N4C15175.8°180.0°
C20C19C15C141.1°0.3°
C20C19N4N3179.3°180.0°
C20C19C15C16179.4°180.0°
C19C20H15H16120.0°119.9°
C19C20H15H17120.0°119.9°
C19C20H16H17120.0°120.0°
OC12C11C24179.7°179.7°
C12OC13C14176.0°179.9°
OC12C11C88.9°0.0°
C12OC13H2356.2°60.0°
C12OC13H2464.2°60.0°
C12C11C24C8172.2°179.7°
C11C12OC1373.5°90.0°
C12C11C8C9144.6°130.3°
C12C11C8C743.4°50.1°
C12C11C24H19173.5°179.8°
C24C11C8C943.6°50.0°
C24C11C8C7128.4°129.7°
C11C24C23H18174.6°180.0°
OC13C14H23119.8°120.0°
OC13C14H24119.8°120.0°
OC13C14C15173.5°180.0°
OC13H23H24120.7°120.0°
OC13C14H2553.8°60.0°
OC13C14H2666.9°60.0°
C13C14C15C1978.4°90.3°
C13C14C15H25119.6°120.0°
C13C14C15H26119.6°119.9°
C13C14C15C1699.7°90.0°
C14C13H23H24120.7°120.0°
C13C14H25H26121.1°120.0°
N4C19C15C14174.6°179.7°
N4C19C15C163.6°0.0°
C19N4N3C162.4°0.0°
C19N4N3C18179.7°180.0°
N4C19C20H150.0°90.1°
N4C19C20H16120.0°150.0°
N4C19C20H17120.0°29.9°
C19C15C14C16178.1°179.7°
C15C19N4N33.6°0.0°
C19C15C16N32.0°0.0°
C19C15C16C17176.0°180.0°
C15C19C20H15175.3°89.9°
C15C19C20H1664.8°30.0°
C15C19C20H1755.2°150.1°
C19C15C14H25162.0°29.7°
C19C15C14H2641.2°149.7°
C11C8C9C7172.1°179.7°
C11C8C9C10177.4°180.0°
C11C8C7C6176.1°179.9°
C8C11C24H191.3°0.1°
C11C8C7H213.8°0.2°
C11C8C9H222.6°0.0°
C14C15C16N3176.6°179.7°
C14C15C16C172.5°0.2°
C15C14C13H2366.8°60.0°
C15C14C13H2453.7°60.0°
C15C14H25H26121.1°120.0°
N4N3C16C150.2°0.0°
N4N3C16C18176.9°179.9°
N4N3C16C17173.6°180.0°
N4N3C18H120.0°90.1°
N4N3C18H13120.0°149.9°
N4N3C18H14120.0°29.9°
C15C16N3C17173.8°180.0°
C15C16N3C18177.1°180.0°
C15C16C17H993.5°90.0°
C15C16C17H10146.5°150.0°
C15C16C17H1126.5°30.0°
C16C15C14H2519.9°150.0°
C16C15C14H26140.7°30.0°
C8C9C10H22180.0°180.0°
C9C8C7C64.2°0.5°
C8C9C10C55.0°0.0°
C8C9C10C3179.5°180.0°
C9C8C7H21175.8°179.9°
C7C8C9C105.4°0.3°
C8C7C6H21180.0°179.6°
C8C7C6C52.5°0.3°
C8C7C6H20177.4°179.7°
C7C8C9H22174.6°179.6°
N3C16C17H993.9°90.0°
N3C16C17H1026.0°30.0°
N3C16C17H11146.0°150.1°
C16N3C18H12176.8°90.0°
C16N3C18H1356.9°30.0°
C16N3C18H1463.1°150.0°
C18N3C16C173.3°0.0°
N3C18H12H13120.0°119.9°
N3C18H12H14120.0°120.0°
N3C18H13H14120.0°120.0°
C9C10C5C3175.8°180.0°
C9C10C5C63.4°0.2°
C9C10C3C27.1°0.0°
C9C10C5N2179.9°179.9°
C9C10C3N1178.1°179.7°
C16C17H9H10120.0°120.0°
C16C17H9H11120.0°120.0°
C16C17H10H11120.0°120.0°
C7C6C5C102.1°0.0°
C7C6C5H20180.0°180.0°
C7C6C5N2177.7°180.0°
C1NC2C128.1°124.0°
C1NC2C365.2°170.0°
NC1H1H2120.0°120.0°
NC1H1H3120.0°120.0°
NC1H2H3120.0°120.0°
C1NC2H455.1°70.0°
C1NC2H5174.4°49.9°
C1NCH29180.0°60.0°
C1NCH3060.0°180.0°
C1NCH3160.0°60.0°
C10C5C6N2175.7°179.9°
C5C10C3C2177.8°180.0°
C5C10C3N13.0°0.2°
C10C5N2N13.7°0.0°
C10C5N2C4178.0°180.0°
C10C5C6H20177.9°180.0°
C5C10C9H22175.0°180.0°
C3C10C5C6179.3°179.8°
C10C3C2N100.4°89.7°
C10C3C2N1174.0°179.7°
C3C10C5N24.0°0.1°
C10C3N1N20.9°0.3°
C10C3C2H420.0°30.3°
C10C3C2H5139.3°150.3°
C3C10C9H220.5°0.0°
C6C5N2N1179.8°180.0°
C6C5N2C45.9°0.1°
C5C6C7H21177.4°179.9°
NC2C3H4120.3°120.0°
NC2C3H5120.3°120.0°
NC2C3N185.6°90.0°
C2NC1H1180.0°60.0°
C2NC1H260.0°180.0°
C2NC1H360.0°60.1°
NC2H4H5119.0°120.0°
C2NCH2949.9°176.0°
C2NCH30169.9°56.0°
C2NCH3170.1°64.0°
C3C2NC62.9°66.0°
C2C3N1N2176.2°180.0°
C3C2H4H5119.0°120.0°
CNC1H150.4°176.1°
CNC1H2170.4°56.0°
CNC1H369.6°63.9°
CNC2H4176.7°54.0°
CNC2H557.4°173.9°
NCH29H30120.0°120.0°
NCH29H31120.0°120.0°
NCH30H31120.0°120.0°
C5N2N1C31.8°0.2°
C5N2N1C4175.3°179.9°
C5N2C4H6174.2°89.9°
C5N2C4H754.2°150.0°
C5N2C4H865.8°30.1°
N2C5C6H202.2°0.1°
C3N1N2C4177.1°179.9°
N1C3C2H4154.1°150.0°
N1C3C2H534.7°30.0°
N1N2C4H60.0°90.0°
N1N2C4H7120.0°30.1°
N1N2C4H8120.0°150.0°
N2C4H6H7120.0°120.0°
N2C4H6H8120.0°120.0°
N2C4H7H8120.0°119.9°
H1C1H2H3120.0°120.0°
H6C4H7H8120.0°120.0°
H9C17H10H11120.0°120.0°
H12C18H13H14120.0°120.1°
H15C20H16H17120.0°120.1°
H18C23C24H195.4°0.0°
H18C23C22H272.0°0.1°
H20C6C7H212.6°0.0°
H23C13C14H25173.6°180.0°
H23C13C14H2652.9°60.0°
H24C13C14H2566.0°60.0°
H24C13C14H26173.3°180.0°
H29CH30H31120.0°120.1°

222624

PDB entries from 2024-07-17

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