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SummaryGeometryRelated PDB entries

A1I81

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N19C18sing1.37Å1.41ÅAromatic
N19C15sing1.37Å1.41ÅAromatic
C18C17doub1.34Å1.38ÅAromatic
C15N14doub1.33Å1.38ÅAromatic
C15C16sing1.41Å1.44ÅAromatic
N14C13sing1.32Å1.33ÅAromatic
C17C16sing1.46Å1.44ÅAromatic
C16C10doub1.41Å1.43ÅAromatic
C13C11doub1.38Å1.43ÅAromatic
C10C11sing1.40Å1.41ÅAromatic
C10C08sing1.48Å1.49Å
C11CL12sing1.74Å1.75Å
O20C03sing1.43Å1.44Å
C08C09doub1.37Å1.39ÅAromatic
C08N07sing1.35Å1.44ÅAromatic
C09N05sing1.35Å1.42ÅAromatic
N07N06doub1.29Å1.31ÅAromatic
C02C03sing1.53Å1.56Å
C02O01sing1.43Å1.42Å
C03C04sing1.53Å1.63Å
N06N05sing1.29Å1.40ÅAromatic
N05C04sing1.46Å1.51Å
C13H1sing1.08Å1.08Å
C17H2sing1.08Å1.08Å
C02H3sing1.09Å1.10Å
C02H4sing1.09Å1.10Å
C03H5sing1.09Å1.10Å
C04H6sing1.09Å1.10Å
C04H7sing1.09Å1.10Å
C09H8sing1.08Å1.08Å
C18H9sing1.08Å1.08Å
N19H10sing0.97Å1.00Å
O01H11sing0.97Å0.95Å
O20H12sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C18N19C15107.9°110.0°
N19C18C17109.0°109.9°
N19C18H9125.5°125.1°
C18N19H10126.1°125.1°
N19C15N14125.9°133.1°
N19C15C16108.4°107.0°
C15N19H10126.0°125.0°
C18C17C16109.2°106.9°
C18C17H2125.4°126.6°
C17C18H9125.5°125.1°
N14C15C16125.7°119.9°
C15N14C13113.4°122.0°
C15C16C17105.5°106.3°
C15C16C10119.2°119.4°
N14C13C11125.4°121.7°
N14C13H1117.3°119.2°
C17C16C10135.3°134.3°
C16C17H2125.4°126.5°
C16C10C11114.0°117.8°
C16C10C08121.6°121.1°
C13C11C10122.2°119.2°
C13C11CL12114.2°120.4°
C11C13H1117.3°119.1°
C11C10C08124.4°121.1°
C10C11CL12123.6°120.4°
C10C08C09128.9°126.9°
C10C08N07124.7°126.9°
O20C03C02108.6°109.5°
O20C03C04110.2°109.5°
O20C03H5110.4°109.5°
C03O20H12109.5°114.1°
C09C08N07106.3°106.2°
C08C09N05106.6°106.0°
C08C09H8126.7°127.0°
C08N07N06110.3°108.8°
C09N05N06108.7°108.5°
C09N05C04127.2°125.7°
N05C09H8126.7°127.0°
N07N06N05108.1°110.5°
C03C02O01105.1°109.5°
C02C03C04110.9°109.5°
C03C02H3110.5°109.5°
C03C02H4110.6°109.5°
C02C03H5108.8°109.5°
O01C02H3110.6°109.5°
O01C02H4110.5°109.5°
C02O01H11109.5°114.0°
C03C04N05116.6°109.5°
C04C03H5108.0°109.4°
C03C04H6107.7°109.5°
C03C04H7107.7°109.5°
N06N05C04124.1°125.8°
N05C04H6107.7°109.5°
N05C04H7107.7°109.4°
H3C02H4109.5°109.5°
H6C04H7109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C18N19C15H10180.0°179.8°
N19C18C17H9180.0°179.9°
C18N19C15N14180.0°179.5°
C18N19C15C160.6°0.2°
N19C18C17C160.7°0.2°
N19C18C17H2179.3°179.9°
C15N19C18C170.8°0.2°
N19C15N14C16179.3°179.2°
N19C15N14C13179.3°180.0°
N19C15C16C170.2°0.1°
N19C15C16C10179.5°179.9°
C15N19C18H9179.1°179.9°
C18C17C16C150.3°0.1°
C18C17C16H2180.0°179.9°
C18C17C16C10180.0°180.0°
C17C18N19H10179.2°180.0°
N14C15C16C17179.6°179.5°
N14C15C16C100.2°0.5°
C15N14C13C110.5°0.6°
C15N14C13H1179.5°179.4°
N14C15N19H100.0°0.8°
C16C15N14C130.0°0.8°
C15C16C17C10179.7°179.9°
C15C16C10C110.7°0.1°
C15C16C10C08178.8°179.7°
C15C16C17H2179.7°180.0°
C16C15N19H10179.4°179.9°
N14C13C11H1180.0°180.0°
N14C13C11C101.2°0.0°
N14C13C11CL12179.6°179.9°
C17C16C10C11179.0°180.0°
C17C16C10C080.9°0.4°
C16C17C18H9179.3°180.0°
C16C10C11C131.2°0.3°
C16C10C11C08178.0°179.6°
C16C10C11CL12179.5°179.8°
C16C10C08C0928.9°47.2°
C16C10C08N07146.5°132.5°
C10C16C17H20.0°0.1°
C13C11C10CL12178.3°179.9°
C13C11C10C08179.2°180.0°
C11C10C08C09153.2°133.1°
C11C10C08N0731.4°47.2°
C10C11C13H1178.9°180.0°
C08C10C11CL122.5°0.1°
C10C08C09N07176.1°179.8°
C10C08C09N05177.5°180.0°
C10C08N07N06177.5°179.8°
C10C08C09H82.4°0.0°
CL12C11C13H10.4°0.1°
O20C03C02C04121.2°120.0°
O20C03C02H5120.2°120.1°
O20C03C02O01138.6°65.0°
O20C03C04H5120.7°120.0°
O20C03C04N0551.6°65.0°
O20C03C02H3102.1°55.0°
O20C03C02H419.3°175.0°
O20C03C04H669.4°175.0°
O20C03C04H7172.6°55.0°
C08C09N05H8180.0°180.0°
C09C08N07N061.2°0.4°
C08C09N05N061.2°0.0°
C08C09N05C04179.4°180.0°
N07C08C09N051.5°0.2°
C08N07N06N050.4°0.5°
N07C08C09H8178.5°179.7°
C09N05N06N070.5°0.3°
C09N05C04C0394.6°125.0°
C09N05N06C04179.4°180.0°
C09N05C04H626.4°5.0°
C09N05C04H7144.4°115.0°
N07N06N05C04179.9°179.7°
C03C02O01H3119.3°120.0°
C03C02O01H4119.3°120.0°
C02C03C04H5119.1°120.0°
C02C03C04N0568.6°175.0°
C03C02H3H4122.0°120.0°
C02C03C04H6170.3°55.0°
C02C03C04H752.4°65.0°
C03C02O01H11180.0°180.0°
C02C03O20H12180.0°60.0°
O01C02C03C0417.5°175.0°
O01C02H3H4122.0°120.0°
O01C02C03H5101.1°55.1°
C03C04N05N0684.7°55.0°
C03C04N05H6121.1°120.0°
C03C04N05H7121.0°120.0°
C04C03C02H3136.8°65.0°
C04C03C02H4101.9°55.0°
C03C04H6H7116.8°120.0°
C04C03O20H1258.4°60.0°
N06N05C04H6154.3°175.0°
N06N05C04H736.3°65.0°
N06N05C09H8178.7°180.0°
N05C04C03H5172.3°55.0°
N05C04H6H7116.7°120.0°
C04N05C09H80.7°0.0°
H2C17C18H90.7°0.0°
H3C02C03H518.2°175.1°
H3C02O01H1160.7°60.0°
H4C02C03H5139.5°64.9°
H4C02O01H1160.7°60.0°
H5C03C04H651.3°65.0°
H5C03C04H766.7°175.0°
H5C03O20H1260.8°179.9°
H9C18N19H100.8°0.1°

250835

PDB entries from 2026-03-18

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