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A1MBL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23C22doub1.38Å1.37ÅAromatic
C23N5sing1.32Å1.34ÅAromatic
C22N4sing1.32Å1.33ÅAromatic
C17C16sing1.53Å1.52Å
C17C18sing1.53Å1.52Å
F1C18sing1.40Å1.35Å
N5C14doub1.32Å1.34ÅAromatic
O2C13doub1.21Å1.23Å
C16C15sing1.53Å1.52Å
N4C21doub1.32Å1.33ÅAromatic
C15N3sing1.47Å1.46Å
C15C20sing1.53Å1.52Å
C18C19sing1.53Å1.52Å
C18F2sing1.40Å1.35Å
C19C20sing1.53Å1.53Å
C13N3sing1.35Å1.33Å
C13C10sing1.51Å1.52Å
C14C21sing1.38Å1.39ÅAromatic
C14C10sing1.51Å1.52Å
C10N2sing1.47Å1.48Å
C6C5doub1.38Å1.38ÅAromatic
C6C7sing1.39Å1.41ÅAromatic
C2C3sing1.37Å1.38ÅAromatic
C2C1doub1.38Å1.37ÅAromatic
C5C4sing1.40Å1.39ÅAromatic
C3N1doub1.30Å1.32ÅAromatic
N2C7sing1.40Å1.45Å
N2C11sing1.35Å1.34Å
C7C8doub1.39Å1.41ÅAromatic
C4C1sing1.48Å1.47Å
C4C9doub1.40Å1.39ÅAromatic
C1Ssing1.77Å1.73ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
N1Ssing1.70Å1.65ÅAromatic
C11O1doub1.21Å1.22Å
C11C12sing1.51Å1.51Å
N3H1sing0.97Å1.00Å
C5H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C10H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C20H10sing1.09Å1.10Å
C21H11sing1.08Å1.08Å
C22H12sing1.08Å1.08Å
C2H13sing1.08Å1.08Å
C3H14sing1.08Å1.08Å
C9H15sing1.08Å1.08Å
C12H16sing1.09Å1.10Å
C12H17sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
C23H23sing1.08Å1.08Å
C12H18sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22C23N5121.5°120.0°
C23C22N4122.0°120.0°
C23C22H12119.0°120.0°
C22C23H23119.3°120.0°
C23N5C14117.5°120.0°
N5C23H23119.3°120.0°
C22N4C21116.7°120.0°
N4C22H12119.0°120.0°
C16C17C18111.1°109.4°
C17C16C15110.8°109.5°
C16C17H7109.1°109.5°
C16C17H8109.1°109.4°
C17C16H19109.2°109.5°
C17C16H20109.2°109.5°
C17C18F1109.2°109.5°
C17C18C19111.9°109.5°
C17C18F2109.3°109.5°
C18C17H7109.1°109.5°
C18C17H8109.1°109.5°
F1C18C19109.2°109.5°
F1C18F2108.0°109.5°
N5C14C21120.1°120.0°
N5C14C10116.8°120.0°
O2C13N3123.3°120.0°
O2C13C10122.7°120.0°
C16C15N3110.2°109.5°
C16C15C20110.9°109.4°
C16C15H6108.1°109.5°
C15C16H19109.1°109.4°
C15C16H20109.1°109.5°
N4C21C14122.2°120.0°
N4C21H11118.9°120.0°
N3C15C20110.6°109.5°
C15N3C13123.4°120.0°
C15N3H1118.3°120.0°
N3C15H6108.9°109.5°
C15C20C19111.0°109.4°
C20C15H6108.1°109.5°
C15C20H9109.1°109.5°
C15C20H10109.1°109.5°
C19C18F2109.2°109.5°
C18C19C20111.4°109.5°
C18C19H21109.0°109.5°
C18C19H22109.0°109.5°
C19C20H9109.1°109.5°
C19C20H10109.1°109.4°
C20C19H21109.0°109.5°
C20C19H22109.0°109.5°
N3C13C10114.0°120.0°
C13N3H1118.3°120.0°
C13C10C14113.3°109.5°
C13C10N2110.6°109.5°
C13C10H5105.6°109.5°
C21C14C10123.0°120.0°
C14C21H11118.9°120.0°
C14C10N2114.8°109.5°
C14C10H5105.5°109.5°
C10N2C7120.9°120.0°
C10N2C11117.4°120.0°
N2C10H5106.1°109.5°
C5C6C7120.9°120.1°
C6C5C4121.3°119.9°
C6C5H2119.3°120.1°
C5C6H3119.5°120.0°
C6C7N2122.0°119.9°
C6C7C8117.4°120.1°
C7C6H3119.5°120.0°
C3C2C1110.8°114.3°
C2C3N1114.8°118.5°
C3C2H13124.6°122.8°
C2C3H14122.6°120.8°
C2C1C4128.7°127.8°
C2C1S109.9°104.4°
C1C2H13124.6°122.8°
C5C4C1121.3°120.1°
C5C4C9118.0°119.9°
C4C5H2119.3°120.0°
C3N1S112.4°107.5°
N1C3H14122.6°120.8°
C7N2C11121.5°120.0°
N2C7C8120.5°120.0°
N2C11O1122.0°120.0°
N2C11C12115.4°120.0°
C7C8C9121.1°120.1°
C7C8H4119.5°120.0°
C1C4C9120.8°120.0°
C4C1S121.4°127.8°
C4C9C8121.3°119.9°
C4C9H15119.3°120.1°
C1SN191.7°95.2°
C9C8H4119.5°119.9°
C8C9H15119.3°120.1°
O1C11C12122.6°120.0°
C11C12H16109.5°109.4°
C11C12H17109.5°109.4°
C11C12H18109.5°109.4°
H7C17H8109.5°109.5°
H9C20H10109.5°109.5°
H16C12H17109.4°109.5°
H16C12H18109.5°109.5°
H17C12H18109.5°109.5°
H19C16H20109.5°109.4°
H21C19H22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22C23N5H23180.0°179.8°
C23C22N4H12180.0°179.9°
C22C23N5C140.5°0.2°
C23C22N4C210.4°0.1°
N5C23C22N40.3°0.2°
C23N5C14C210.8°0.1°
C23N5C14C10179.5°180.0°
N5C23C22H12179.7°179.7°
C22N4C21C140.7°0.3°
C22N4C21H11179.3°180.0°
N4C22C23H23179.7°180.0°
C16C17C18H7120.3°120.0°
C16C17C18H8120.2°119.9°
C16C17C18F1175.5°180.0°
C17C16C15H19120.2°120.0°
C17C16C15H20120.2°120.1°
C17C16C15N3179.9°180.0°
C17C16C15C2057.3°60.0°
C16C17C18C1954.5°60.0°
C16C17C18F266.6°60.0°
C17C16C15H661.0°59.9°
C16C17H7H8119.3°120.0°
C17C16H19H20119.4°120.0°
C17C18F1C19122.6°120.0°
C17C18F1F2118.7°120.0°
C18C17C16C1556.0°60.0°
C17C18C19F2121.1°120.0°
C17C18C19C2053.9°60.0°
C18C17H7H8119.2°120.0°
C18C17C16H1964.2°180.0°
C18C17C16H20176.2°60.0°
C17C18C19H2166.4°180.0°
C17C18C19H22174.2°60.0°
F1C18C19F2117.9°120.0°
F1C18C19C20174.9°180.0°
F1C18C17H755.2°60.0°
F1C18C17H864.3°60.0°
F1C18C19H2154.6°60.0°
F1C18C19H2264.8°60.0°
N5C14C21N41.0°0.3°
N5C14C10C1359.9°95.5°
N5C14C21C10178.6°179.9°
N5C14C10N2171.6°24.5°
N5C14C10H555.2°144.5°
N5C14C21H11179.0°180.0°
C14N5C23H23179.5°180.0°
O2C13N3C158.5°0.1°
O2C13N3C10179.8°179.9°
O2C13C10C1451.2°119.9°
O2C13C10N279.4°0.1°
O2C13N3H1171.5°179.9°
O2C13C10H5166.3°120.1°
C16C15N3C20123.0°120.0°
C16C15N3H6118.4°120.1°
C16C15C20H6118.4°120.0°
C16C15C20C1956.7°60.0°
C16C15N3C13150.8°85.1°
C16C15N3H129.2°95.0°
C15C16C17H764.3°60.0°
C15C16C17H8176.2°180.0°
C16C15C20H963.6°60.0°
C16C15C20H10176.9°179.9°
C15C16H19H20119.4°120.0°
N4C21C14H11180.0°179.7°
N4C21C14C10179.5°179.7°
C21N4C22H12179.6°180.0°
N3C15C20H6119.1°120.0°
N3C15C20C19179.2°180.0°
C15N3C13H1180.0°179.9°
C15N3C13C10171.3°180.0°
N3C15C20H958.9°60.0°
N3C15C20H1060.6°60.1°
N3C15C16H1959.9°60.0°
N3C15C16H2059.7°59.9°
C15C20C19C1854.8°60.0°
C15C20C19H9120.3°120.0°
C15C20C19H10120.2°120.0°
C20C15N3C1386.2°155.0°
C20C15N3H193.8°25.0°
C15C20H9H10119.3°120.1°
C20C15C16H1962.9°180.0°
C20C15C16H20177.5°60.0°
C15C20C19H2165.5°180.0°
C15C20C19H22175.0°60.0°
C18C19C20H21120.3°120.0°
C18C19C20H22120.3°120.0°
C19C18C17H765.8°60.0°
C19C18C17H8174.7°179.9°
C18C19C20H965.5°60.0°
C18C19C20H10175.0°180.0°
C18C19H21H22119.1°120.0°
F2C18C19C2067.2°60.0°
F2C18C17H7173.1°180.0°
F2C18C17H853.6°60.0°
F2C18C19H21172.5°60.0°
F2C18C19H2253.1°180.0°
C19C20C15H661.7°60.0°
C19C20H9H10119.3°120.0°
C20C19H21H22119.1°120.0°
N3C13C10C14129.0°60.0°
N3C13C10N2100.4°180.0°
N3C13C10H513.9°60.0°
C13N3C15H632.4°35.0°
C13C10C14C21121.5°84.5°
C13C10C14N2128.5°120.0°
C13C10C14H5115.1°120.0°
C13C10N2H5114.0°120.0°
C13C10N2C717.9°125.8°
C13C10N2C11157.5°54.3°
C10C13N3H18.7°0.1°
C21C14C10N27.0°155.6°
C21C14C10H5123.4°35.5°
C14C10N2H5116.1°120.0°
C14C10N2C7112.0°114.2°
C14C10N2C1172.6°65.7°
C10C14C21H110.5°0.0°
C10N2C7C683.3°65.7°
C10N2C7C11175.2°179.9°
C10N2C7C899.4°114.3°
C10N2C11O15.8°4.9°
C10N2C11C12173.5°175.0°
C5C6C7H3180.0°180.0°
C6C5C4H2180.0°180.0°
C5C6C7N2178.7°180.0°
C5C6C7C81.3°0.0°
C6C5C4C1179.9°180.0°
C6C5C4C90.3°0.2°
C7C6C5C40.5°0.0°
C6C7N2C8177.3°180.0°
C6C7N2C11101.5°114.4°
C6C7C8C91.4°0.3°
C7C6C5H2179.5°180.0°
C6C7C8H4178.6°179.9°
C3C2C1H13180.0°180.0°
C2C3N1H14180.0°180.0°
C3C2C1C4176.3°180.0°
C3C2C1S3.3°0.0°
C2C3N1S5.2°0.0°
C2C1C4C514.6°0.3°
C1C2C3N11.1°0.0°
C2C1C4S179.5°180.0°
C2C1C4C9165.9°179.9°
C2C1SN15.2°0.0°
C1C2C3H14178.9°179.9°
C5C4C1C9179.5°179.8°
C5C4C1S164.9°179.7°
C5C4C9C80.3°0.5°
C4C5C6H3179.5°180.0°
C5C4C9H15179.7°179.7°
C3N1SC15.9°0.0°
N1C3C2H13178.9°180.0°
N2C7C8C9178.8°179.7°
C7N2C11O1169.5°175.0°
C7N2C11C1211.1°5.0°
N2C7C6H31.3°0.0°
N2C7C8H41.2°0.1°
C7N2C10H5131.9°5.8°
C11N2C7C875.8°65.6°
N2C11O1C12179.3°179.9°
C11N2C10H543.5°174.3°
N2C11C12H16179.3°94.8°
N2C11C12H1759.3°145.1°
N2C11C12H1860.7°25.2°
C7C8C9C40.6°0.5°
C7C8C9H4180.0°179.7°
C8C7C6H3178.6°180.0°
C7C8C9H15179.4°179.7°
C1C4C9C8179.8°179.8°
C4C1SN1174.3°180.0°
C1C4C5H20.1°0.0°
C4C1C2H133.7°0.1°
C1C4C9H150.2°0.0°
C9C4C1S14.7°0.1°
C4C9C8H15180.0°179.8°
C9C4C5H2179.7°179.8°
C4C9C8H4179.4°179.8°
SC1C2H13176.7°180.0°
SN1C3H14174.8°180.0°
O1C11C12H160.0°85.2°
O1C11C12H17120.0°34.8°
O1C11C12H18120.0°154.8°
C11C12H16H17120.0°120.0°
C11C12H16H18120.0°120.0°
C11C12H17H18120.0°119.9°
H1N3C15H6147.6°144.9°
H2C5C6H30.5°0.0°
H4C8C9H150.6°0.0°
H6C15C20H9178.0°180.0°
H6C15C20H1058.5°59.9°
H6C15C16H19178.7°60.1°
H6C15C16H2059.2°NaN°
H7C17C16H19175.6°60.0°
H7C17C16H2055.9°180.0°
H8C17C16H1956.0°60.0°
H8C17C16H2063.6°59.9°
H9C20C19H21174.2°60.0°
H9C20C19H2254.8°180.0°
H10C20C19H2154.7°60.0°
H10C20C19H2264.7°59.9°
H12C22C23H230.3°0.1°
H13C2C3H141.1°0.0°
H16C12H17H18120.0°120.1°

250835

PDB entries from 2026-03-18

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