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0LI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C84doub1.33Å1.33ÅAromatic
N1C1sing1.33Å1.39ÅAromatic
N3C20sing1.47Å1.45Å
N3C21sing1.47Å1.48Å
N3C24sing1.47Å1.49Å
C4C5sing1.43Å1.45Å
C4C3trip1.17Å1.20Å
C5C6doub1.40Å1.45ÅAromatic
C5C10sing1.40Å1.41ÅAromatic
C6C7sing1.38Å1.42ÅAromatic
C6C11sing1.51Å1.54Å
C7C8doub1.38Å1.46ÅAromatic
C7H7sing1.08Å1.08Å
C8C9sing1.40Å1.45ÅAromatic
C8H8sing1.08Å1.08Å
C10C9doub1.39Å1.43ÅAromatic
C10H10sing1.08Å1.08Å
C13N2sing1.40Å1.43Å
C13C14doub1.39Å1.41ÅAromatic
C13C18sing1.39Å1.43ÅAromatic
C15C14sing1.38Å1.42ÅAromatic
C15C16doub1.38Å1.42ÅAromatic
C15H15sing1.08Å1.08Å
C17C16sing1.38Å1.46ÅAromatic
C17C18doub1.38Å1.43ÅAromatic
C17C19sing1.51Å1.52Å
C20C16sing1.51Å1.54Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21C22sing1.53Å1.55Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22N4sing1.47Å1.49Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C24C23sing1.53Å1.54Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C81C82doub1.36Å1.39ÅAromatic
C81C84sing1.41Å1.42ÅAromatic
C81H81sing1.08Å1.08Å
C82C83sing1.40Å1.44ÅAromatic
C82H82sing1.08Å1.08Å
C83N81doub1.31Å1.34ÅAromatic
C83H83sing1.08Å1.08Å
N81N82sing1.40Å1.37ÅAromatic
N82C84sing1.37Å1.43ÅAromatic
N82C2sing1.37Å1.36ÅAromatic
C1C2doub1.39Å1.36ÅAromatic
C1H1sing1.08Å1.08Å
C2C3sing1.43Å1.40Å
C9C12sing1.48Å1.49Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C11H11Bsing1.09Å1.10Å
C12O1doub1.22Å1.24Å
C12N2sing1.35Å1.36Å
N2HN2sing0.97Å1.00Å
C14H14sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C19F1sing1.40Å1.32Å
C19F2sing1.40Å1.33Å
C19F3sing1.40Å1.35Å
C23N4sing1.47Å1.49Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C25N4sing1.47Å1.47Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C84N1C1105.5°109.6°
N1C84C81133.7°132.3°
N1C84N82110.9°108.6°
N1C1C2110.4°108.2°
N1C1H1124.8°125.9°
C20N3C21114.2°111.0°
C20N3C24110.7°111.0°
N3C20C16113.3°109.5°
N3C20H20108.5°109.5°
N3C20H20A108.5°109.5°
C21N3C24109.4°110.8°
N3C21C22110.2°109.4°
N3C21H21109.3°109.5°
N3C21H21A109.3°109.5°
N3C24C23109.5°109.3°
N3C24H24109.5°109.5°
N3C24H24A109.5°109.5°
C5C4C3176.4°179.9°
C4C5C6122.9°120.2°
C4C5C10116.8°120.0°
C4C3C2177.5°180.0°
C6C5C10120.3°119.8°
C5C6C7119.7°120.2°
C5C6C11121.5°119.9°
C5C10C9121.3°119.7°
C5C10H10119.3°120.2°
C7C6C11118.9°119.9°
C6C7C8120.3°120.3°
C6C7H7119.9°119.8°
C6C11H11109.5°109.5°
C6C11H11A109.5°109.5°
C6C11H11B109.5°109.5°
C8C7H7119.9°119.8°
C7C8C9119.4°120.2°
C7C8H8120.3°119.9°
C9C8H8120.3°119.9°
C8C9C10119.2°119.8°
C8C9C12123.2°120.1°
C9C10H10119.4°120.1°
C10C9C12117.7°120.1°
N2C13C14117.7°120.1°
N2C13C18123.3°120.1°
C13N2C12126.1°120.0°
C13N2HN2117.0°120.1°
C14C13C18119.1°119.8°
C13C14C15120.5°119.9°
C13C14H14119.7°120.0°
C13C18C17121.6°120.0°
C13C18H18119.2°120.0°
C14C15C16121.3°120.1°
C14C15H15119.3°120.0°
C15C14H14119.7°120.1°
C16C15H15119.4°119.9°
C15C16C17119.0°120.2°
C15C16C20117.8°119.9°
C16C17C18118.5°120.0°
C16C17C19122.8°120.0°
C17C16C20123.2°119.9°
C18C17C19118.7°120.0°
C17C18H18119.2°120.0°
C17C19F1109.4°109.5°
C17C19F2112.5°109.5°
C17C19F3109.5°109.4°
C16C20H20108.5°109.4°
C16C20H20A108.5°109.5°
H20C20H20A109.5°109.5°
C22C21H21109.3°109.5°
C22C21H21A109.3°109.5°
C21C22N4111.3°109.3°
C21C22H22109.0°109.5°
C21C22H22A109.0°109.5°
H21C21H21A109.5°109.5°
N4C22H22109.0°109.5°
N4C22H22A109.0°109.5°
C22N4C23112.0°110.8°
C22N4C25110.8°111.0°
H22C22H22A109.5°109.5°
C23C24H24109.5°109.5°
C23C24H24A109.5°109.5°
C24C23N4111.7°109.4°
C24C23H23108.9°109.5°
C24C23H23A108.9°109.5°
H24C24H24A109.4°109.5°
C82C81C84118.9°119.1°
C82C81H81120.5°120.4°
C81C82C83119.2°120.2°
C81C82H82120.4°119.9°
C84C81H81120.6°120.4°
C81C84N82115.4°119.1°
C83C82H82120.4°119.9°
C82C83N81125.4°120.9°
C82C83H83117.3°119.5°
N81C83H83117.3°119.6°
C83N81N82112.8°120.6°
N81N82C84128.3°120.1°
N81N82C2126.9°132.9°
C84N82C2104.8°107.0°
N82C2C1108.4°106.6°
N82C2C3125.9°126.7°
C2C1H1124.8°125.9°
C1C2C3125.7°126.7°
C9C12O1119.3°120.0°
C9C12N2116.7°120.0°
H11C11H11A109.5°109.5°
H11C11H11B109.4°109.5°
H11AC11H11B109.5°109.5°
O1C12N2124.0°120.0°
C12N2HN2117.0°119.9°
F1C19F2106.8°109.5°
F1C19F3110.6°109.5°
F2C19F3108.1°109.5°
N4C23H23108.9°109.4°
N4C23H23A108.9°109.5°
C23N4C25111.2°111.0°
H23C23H23A109.4°109.5°
N4C25H25109.5°109.4°
N4C25H25A109.5°109.5°
N4C25H25B109.5°109.5°
H25C25H25A109.5°109.4°
H25C25H25B109.5°109.5°
H25AC25H25B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C84C81C82179.7°180.0°
N1C84C81N82179.7°180.0°
N1C84C81H810.3°0.0°
N1C84N82N81179.7°180.0°
N1C84N82C20.1°0.0°
C84N1C1C20.3°0.0°
C84N1C1H1179.7°179.9°
C1N1C84C81179.6°180.0°
C1N1C84N820.1°0.0°
N1C1C2N820.3°0.0°
N1C1C2H1180.0°179.9°
N1C1C2C3179.9°180.0°
C20N3C21C24124.7°123.8°
N3C20C16C1543.7°100.5°
N3C20C16C17136.0°79.3°
N3C20C16H20120.5°120.0°
N3C20C16H20A120.6°120.0°
N3C20H20H20A118.3°120.0°
C20N3C21C22174.2°176.8°
C20N3C21H2154.1°56.9°
C20N3C21H21A65.7°63.2°
C20N3C24C23172.0°176.8°
C20N3C24H2468.0°63.2°
C20N3C24H24A52.0°56.9°
C21N3C20C1664.6°164.8°
C21N3C20H20174.9°75.2°
C21N3C20H20A56.0°44.8°
N3C21C22H21120.1°119.9°
N3C21C22H21A120.1°120.0°
N3C21H21H21A119.7°120.1°
N3C21C22N456.3°58.5°
N3C21C22H2264.0°61.5°
N3C21C22H22A176.6°178.4°
C21N3C24C2361.3°59.3°
C21N3C24H2458.8°60.6°
C21N3C24H24A178.7°179.3°
C24N3C20C16171.4°71.4°
C24N3C20H2050.9°48.5°
C24N3C20H20A68.0°168.6°
C24N3C21C2261.1°59.4°
C24N3C21H21178.7°179.3°
C24N3C21H21A58.9°60.6°
N3C24C23H24120.0°120.0°
N3C24C23H24A120.0°119.9°
N3C24H24H24A120.0°120.0°
N3C24C23N456.9°58.5°
N3C24C23H23177.3°178.3°
N3C24C23H23A63.4°61.6°
C4C5C6C10179.5°179.7°
C4C5C6C7179.7°180.0°
C4C5C6C110.0°0.1°
C4C5C10C9179.7°179.7°
C4C5C10H100.3°0.1°
C5C4C3C28.1°2.3°
C3C4C5C6100.9°17.3°
C3C4C5C1078.6°163.1°
C4C3C2N82155.4°165.1°
C4C3C2C124.1°14.9°
C5C6C7C11179.7°179.9°
C5C6C7C80.1°0.0°
C5C6C7H7179.9°179.9°
C6C5C10C90.1°0.6°
C6C5C10H10179.9°179.7°
C5C6C11H1190.2°90.0°
C5C6C11H11A149.8°150.0°
C5C6C11H11B29.8°30.0°
C10C5C6C70.2°0.4°
C10C5C6C11179.5°179.7°
C5C10C9C80.1°0.6°
C5C10C9H10180.0°179.6°
C5C10C9C12179.9°179.7°
C6C7C8H7180.0°180.0°
C6C7C8C90.0°0.0°
C6C7C8H8179.9°180.0°
C7C6C11H1190.2°90.0°
C7C6C11H11A29.9°30.0°
C7C6C11H11B149.8°149.9°
C11C6C7C8179.6°180.0°
C11C6C7H70.4°0.0°
C6C11H11H11A120.0°120.0°
C6C11H11H11B120.0°120.0°
C6C11H11AH11B120.0°120.0°
C7C8C9H8180.0°179.9°
C7C8C9C100.0°0.3°
C7C8C9C12179.9°180.0°
H7C7C8C9180.0°179.9°
H7C7C8H80.0°0.0°
C8C9C10C12179.9°179.6°
C8C9C10H10179.9°179.7°
C8C9C12O1178.8°180.0°
C8C9C12N21.4°0.1°
H8C8C9C10180.0°179.7°
H8C8C9C120.1°0.1°
C10C9C12O11.1°0.4°
C10C9C12N2178.7°179.7°
H10C10C9C120.1°0.1°
N2C13C14C18179.6°179.7°
N2C13C14C15179.7°180.0°
N2C13C18C17179.6°180.0°
C13N2C12C9161.5°174.4°
C13N2C12O118.7°5.5°
C13N2C12HN2180.0°180.0°
N2C13C14H140.3°0.1°
N2C13C18H180.5°0.0°
C13C14C15H14180.0°179.9°
C13C14C15C160.1°0.1°
C13C14C15H15180.0°180.0°
C14C13C18C170.1°0.3°
C14C13N2C12172.8°34.7°
C14C13N2HN27.2°145.3°
C14C13C18H18179.9°179.7°
C18C13C14C150.0°0.3°
C13C18C17C160.1°0.0°
C13C18C17H18180.0°180.0°
C13C18C17C19179.7°179.7°
C18C13N2C126.8°145.6°
C18C13N2HN2173.2°34.4°
C18C13C14H14180.0°179.8°
C14C15C16H15180.0°179.9°
C14C15C16C170.1°0.2°
C14C15C16C20179.6°180.0°
C15C16C17C20179.7°179.8°
C15C16C17C180.0°0.2°
C15C16C17C19179.8°180.0°
C15C16C20H2076.8°19.5°
C15C16C20H20A164.3°139.5°
C16C15C14H14179.9°180.0°
H15C15C16C17180.0°179.7°
H15C15C16C200.3°0.1°
H15C15C14H140.1°0.1°
C16C17C18C19179.8°179.7°
C17C16C20H20103.5°160.7°
C17C16C20H20A15.4°40.7°
C16C17C18H18179.9°180.0°
C16C17C19F165.8°175.5°
C16C17C19F2175.7°55.5°
C16C17C19F355.6°64.6°
C18C17C16C20179.7°180.0°
C18C17C19F1114.0°4.2°
C18C17C19F24.5°124.3°
C18C17C19F3124.6°115.7°
C19C17C16C200.1°0.3°
C19C17C18H180.3°0.3°
C17C19F1F2122.0°120.0°
C17C19F1F3120.7°119.9°
C17C19F2F3121.0°120.0°
C16C20H20H20A118.2°120.0°
C22C21H21H21A119.7°120.1°
C21C22N4H22120.3°120.0°
C21C22N4H22A120.3°119.9°
C21C22H22H22A119.2°120.1°
C21C22N4C2351.7°59.3°
C21C22N4C25176.5°176.8°
H21C21C22N4176.4°178.4°
H21C21C22H2256.1°58.4°
H21C21C22H22A63.3°61.7°
H21AC21C22N463.8°61.6°
H21AC21C22H22175.9°178.5°
H21AC21C22H22A56.5°58.3°
N4C22H22H22A119.1°120.0°
C22N4C23C2452.5°59.4°
C22N4C23C25124.6°123.8°
C22N4C23H23172.8°179.3°
C22N4C23H23A67.9°60.6°
C22N4C25H25180.0°60.1°
C22N4C25H25A60.0°180.0°
C22N4C25H25B60.0°60.0°
H22C22N4C2368.6°60.7°
H22C22N4C2556.2°63.2°
H22AC22N4C23172.0°179.3°
H22AC22N4C2563.2°56.9°
C23C24H24H24A120.0°120.1°
C24C23N4H23120.4°119.9°
C24C23N4H23A120.3°120.0°
C24C23H23H23A118.9°120.1°
C24C23N4C25177.1°176.8°
H24C24C23N463.1°61.5°
H24C24C23H2357.3°58.4°
H24C24C23H23A176.6°178.5°
H24AC24C23N4177.0°178.4°
H24AC24C23H2362.7°61.7°
H24AC24C23H23A56.6°58.3°
C82C81C84H81180.0°180.0°
C81C82C83H82180.0°180.0°
C81C82C83N810.1°0.0°
C81C82C83H83179.9°180.0°
C82C81C84N820.0°0.0°
C84C81C82C830.0°0.0°
C84C81C82H82179.9°180.0°
C81C84N82N810.1°0.0°
C81C84N82C2179.9°180.0°
H81C81C82C83180.0°180.0°
H81C81C82H820.1°0.1°
H81C81C84N82180.0°180.0°
C82C83N81H83180.0°179.9°
C82C83N81N820.0°0.0°
H82C82C83N81179.9°180.0°
H82C82C83H830.1°0.1°
C83N81N82C840.1°0.0°
C83N81N82C2179.8°180.0°
H83C83N81N82180.0°179.9°
N81N82C84C2179.8°180.0°
N81N82C2C1179.5°180.0°
N81N82C2C30.0°0.0°
C84N82C2C10.2°0.0°
C84N82C2C3179.8°180.0°
N82C2C1C3179.6°180.0°
N82C2C1H1179.6°179.9°
H1C1C2C30.1°0.1°
C9C12O1N2179.8°179.9°
C9C12N2HN218.5°5.6°
H11C11H11AH11B120.0°120.0°
O1C12N2HN2161.3°174.5°
F1C19F2F3119.0°120.0°
N4C23H23H23A119.0°120.1°
C23N4C25H2554.7°176.2°
C23N4C25H25A65.3°56.3°
C23N4C25H25B174.7°63.8°
H23C23N4C2562.6°56.9°
H23AC23N4C2556.7°63.2°
N4C25H25H25A120.0°119.9°
N4C25H25H25B120.0°120.1°
N4C25H25AH25B120.0°120.1°
H25C25H25AH25B120.0°120.0°

219140

PDB entries from 2024-05-01

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