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60I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C3sing1.51Å1.49Å
N4C13sing1.36Å1.40ÅAromatic
N4C12doub1.30Å1.32ÅAromatic
C14C13sing1.40Å1.39ÅAromatic
C14C15doub1.37Å1.39ÅAromatic
C4Nsing1.46Å1.46Å
C11C12sing1.51Å1.51Å
C11N3sing1.47Å1.50Å
C3Nsing1.34Å1.35ÅAromatic
C3C2doub1.38Å1.38ÅAromatic
C13C18doub1.41Å1.39ÅAromatic
C8N3sing1.47Å1.49Å
C8C7sing1.54Å1.51Å
C12N5sing1.36Å1.37ÅAromatic
OC6doub1.22Å1.22Å
NN1sing1.40Å1.37ÅAromatic
C15C16sing1.39Å1.39ÅAromatic
N3C9sing1.47Å1.50Å
C6C2sing1.47Å1.52Å
C6N2sing1.35Å1.35Å
C9C10sing1.53Å1.53Å
C2C1sing1.41Å1.43ÅAromatic
C21C20sing1.53Å1.52Å
C7N2sing1.47Å1.47Å
N2C10sing1.47Å1.47Å
C18N5sing1.38Å1.39ÅAromatic
C18C17sing1.39Å1.38ÅAromatic
N5C19sing1.47Å1.47Å
N1C1doub1.30Å1.32ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C23C20sing1.53Å1.53Å
C1Csing1.51Å1.49Å
C20C19sing1.53Å1.55Å
C20C22sing1.53Å1.53Å
CH2sing1.09Å1.10Å
CH1sing1.09Å1.10Å
CH3sing1.09Å1.10Å
C10H16sing1.09Å1.10Å
C10H17sing1.09Å1.10Å
C11H19sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C14H20sing1.08Å1.08Å
C15H21sing1.08Å1.08Å
C16H22sing1.08Å1.08Å
C17H23sing1.08Å1.08Å
C19H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
C21H28sing1.09Å1.10Å
C21H26sing1.09Å1.10Å
C21H27sing1.09Å1.10Å
C22H29sing1.09Å1.10Å
C22H30sing1.09Å1.10Å
C22H31sing1.09Å1.10Å
C23H33sing1.09Å1.10Å
C23H34sing1.09Å1.10Å
C23H32sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C8H12sing1.09Å1.10Å
C9H14sing1.09Å1.10Å
C9H15sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C3N121.3°126.3°
C5C3C2130.3°126.3°
C3C5H7109.5°109.4°
C3C5H8109.5°109.5°
C3C5H9109.4°109.5°
C13N4C12104.9°109.7°
N4C13C14129.9°133.6°
N4C13C18110.3°107.0°
N4C12C11121.8°125.0°
N4C12N5112.9°110.0°
C13C14C15118.7°119.9°
C14C13C18119.8°119.4°
C13C14H20120.7°120.1°
C14C15C16120.8°120.7°
C15C14H20120.7°120.1°
C14C15H21119.6°119.6°
C4NC3129.9°125.8°
C4NN1119.2°125.8°
NC4H6109.5°109.4°
NC4H4109.5°109.5°
NC4H5109.5°109.5°
C12C11N3108.1°109.5°
C11C12N5124.8°125.0°
C12C11H19109.8°109.5°
C12C11H18109.8°109.5°
C11N3C8111.4°111.0°
C11N3C9111.1°111.0°
N3C11H19109.8°109.5°
N3C11H18109.8°109.5°
NC3C2108.4°107.4°
C3NN1110.9°108.5°
C3C2C6124.2°126.4°
C3C2C1103.4°107.2°
C13C18N5105.4°106.0°
C13C18C17122.1°119.9°
N3C8C7108.2°109.4°
C8N3C9110.6°111.3°
N3C8H13109.8°109.5°
N3C8H12109.8°109.5°
C8C7N2109.6°108.4°
C8C7H11109.4°109.8°
C8C7H10109.4°109.7°
C7C8H13109.8°109.6°
C7C8H12109.8°109.4°
C12N5C18106.5°107.4°
C12N5C19128.1°126.3°
OC6C2118.7°120.0°
OC6N2122.2°120.0°
NN1C1105.9°108.9°
C15C16C17120.8°120.4°
C16C15H21119.6°119.7°
C15C16H22119.6°119.8°
N3C9C10110.1°109.3°
N3C9H14109.3°109.5°
N3C9H15109.3°109.6°
C2C6N2119.1°120.0°
C6C2C1132.2°126.5°
C6N2C7120.7°120.9°
C6N2C10128.6°120.8°
C9C10N2110.1°108.6°
C9C10H16109.3°109.6°
C9C10H17109.3°109.6°
C10C9H14109.3°109.5°
C10C9H15109.3°109.4°
C2C1N1111.4°108.0°
C2C1C129.6°126.0°
C21C20C23108.8°109.5°
C21C20C19112.1°109.5°
C21C20C22107.6°109.4°
C20C21H28109.5°109.5°
C20C21H26109.4°109.5°
C20C21H27109.4°109.4°
C7N2C10110.7°118.3°
N2C7H11109.4°109.7°
N2C7H10109.5°109.6°
N2C10H16109.3°109.6°
N2C10H17109.3°109.7°
N5C18C17132.5°134.2°
C18N5C19125.3°126.3°
C18C17C16117.8°119.7°
C18C17H23121.1°120.1°
N5C19C20117.0°109.5°
N5C19H24107.6°109.5°
N5C19H25107.6°109.4°
N1C1C119.0°126.0°
C17C16H22119.6°119.8°
C16C17H23121.1°120.1°
C23C20C19111.4°109.5°
C23C20C22108.3°109.4°
C20C23H33109.5°109.4°
C20C23H34109.5°109.5°
C20C23H32109.4°109.5°
C1CH2109.5°109.5°
C1CH1109.5°109.5°
C1CH3109.5°109.4°
C19C20C22108.4°109.5°
C20C19H24107.5°109.4°
C20C19H25107.5°109.5°
C20C22H29109.5°109.5°
C20C22H30109.4°109.5°
C20C22H31109.5°109.5°
H2CH1109.5°109.5°
H2CH3109.4°109.5°
H1CH3109.5°109.4°
H16C10H17109.5°109.7°
H19C11H18109.5°109.4°
H24C19H25109.5°109.5°
H28C21H26109.5°109.5°
H28C21H27109.5°109.5°
H26C21H27109.5°109.4°
H29C22H30109.5°109.5°
H29C22H31109.5°109.4°
H30C22H31109.5°109.4°
H33C23H34109.5°109.4°
H33C23H32109.5°109.5°
H34C23H32109.4°109.6°
H6C4H4109.5°109.4°
H6C4H5109.5°109.4°
H4C4H5109.4°109.5°
H7C5H8109.5°109.5°
H7C5H9109.5°109.4°
H8C5H9109.5°109.5°
H11C7H10109.5°109.6°
H13C8H12109.5°109.5°
H14C9H15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C3NC41.5°0.3°
C5C3NC2179.4°180.0°
C5C3NN1178.9°180.0°
C5C3C2C65.7°0.0°
C5C3C2C1178.7°179.9°
C3C5H7H8120.0°120.0°
C3C5H7H9120.0°120.0°
C3C5H8H9120.0°120.0°
N4C13C14C18176.9°180.0°
N4C13C14C15175.9°180.0°
C13N4C12C11171.3°180.0°
C13N4C12N51.2°0.3°
N4C13C18N50.4°0.0°
N4C13C18C17177.0°180.0°
N4C13C14H204.1°0.0°
C12N4C13C14176.7°179.8°
N4C12C11N5171.7°179.6°
N4C12C11N392.5°89.7°
C12N4C13C180.5°0.2°
N4C12N5C181.5°0.3°
N4C12N5C19177.6°179.7°
N4C12C11H19147.7°30.4°
N4C12C11H1827.3°150.3°
C13C14C15H20180.0°180.0°
C13C14C15C160.9°0.0°
C14C13C18N5177.9°180.0°
C14C13C18C170.5°0.1°
C13C14C15H21179.2°180.0°
C15C14C13C181.0°0.0°
C14C15C16H21180.0°180.0°
C14C15C16C170.1°0.0°
C14C15C16H22179.9°179.9°
C4NC3N1179.6°179.7°
C4NC3C2179.1°179.7°
C4NN1C1179.5°179.7°
NC4H6H4120.0°120.0°
NC4H6H5120.0°120.0°
NC4H4H5120.0°120.1°
C12C11N3H19119.8°120.0°
C12C11N3H18119.8°120.0°
C12C11N3C873.9°170.0°
C12C11N3C9162.3°65.7°
C11C12N5C18170.8°180.0°
C11C12N5C195.2°0.1°
C12C11H19H18120.6°120.0°
C11N3C8C9124.0°124.1°
C11N3C8C7176.7°172.9°
N3C11C12N579.2°89.9°
C11N3C9C10179.2°172.7°
N3C11H19H18120.6°120.0°
C11N3C8H1363.5°52.8°
C11N3C8H1256.8°67.3°
C11N3C9H1459.0°67.3°
C11N3C9H1560.8°52.8°
NC3C2C6175.0°180.0°
NC3C2C10.6°0.0°
C3NN1C10.1°0.0°
C3NC4H6179.6°90.3°
C3NC4H460.4°29.7°
C3NC4H559.5°149.7°
NC3C5H789.7°90.0°
NC3C5H8150.3°150.0°
NC3C5H930.3°29.9°
C3C2C6O55.0°90.0°
C2C3NN10.4°0.0°
C3C2C6C1174.2°179.9°
C3C2C6N2128.1°90.1°
C3C2C1N10.5°0.1°
C3C2C1C178.8°179.9°
C2C3C5H789.5°90.0°
C2C3C5H830.5°30.0°
C2C3C5H9150.5°150.0°
C13C18N5C121.1°0.2°
C13C18N5C17177.0°180.0°
C13C18N5C19177.3°179.9°
C13C18C17C160.2°0.1°
C18C13C14H20178.9°180.0°
C13C18C17H23179.8°179.9°
N3C8C7H13119.8°120.0°
N3C8C7H12119.8°119.9°
C8N3C9C1056.7°63.1°
N3C8C7N261.5°53.6°
C8N3C11H19166.3°70.0°
C8N3C11H1845.8°50.0°
N3C8C7H11178.5°173.4°
N3C8C7H1058.5°66.0°
N3C8H13H12120.6°120.0°
C8N3C9H14176.8°56.9°
C8N3C9H1563.4°177.0°
C7C8N3C959.3°63.0°
C8C7N2C6118.1°128.9°
C8C7N2H11120.0°119.9°
C8C7N2H10120.0°119.7°
C8C7N2C1062.1°51.0°
C8C7H11H10119.9°120.6°
C7C8H13H12120.7°120.0°
C12N5C18C19176.2°179.9°
C12N5C18C17175.9°179.8°
C12N5C19C2092.2°89.9°
N5C12C11H1940.6°150.0°
N5C12C11H18161.0°30.1°
C12N5C19H2428.9°30.1°
C12N5C19H25146.8°150.1°
OC6C2N2177.0°179.9°
OC6C2C1119.2°89.9°
OC6N2C73.4°0.0°
OC6N2C10176.8°180.0°
NN1C1C20.3°0.0°
NN1C1C178.7°179.9°
N1NC4H60.0°90.1°
N1NC4H4120.0°150.0°
N1NC4H5120.0°29.9°
C15C16C17C180.4°0.1°
C15C16C17H22180.0°179.9°
C16C15C14H20179.1°180.0°
C15C16C17H23179.6°179.9°
N3C9C10H14120.1°120.0°
N3C9C10H15120.1°120.0°
N3C9C10N255.4°53.9°
N3C9C10H1664.7°65.8°
N3C9C10H17175.5°173.8°
C9N3C11H1942.5°54.3°
C9N3C11H1877.9°174.3°
C9N3C8H1360.5°176.9°
C9N3C8H12179.2°56.8°
N3C9H14H15119.7°120.1°
C2C6N2C7173.5°180.0°
C2C6N2C106.3°0.1°
C6C2C1N1174.5°180.0°
C6C2C1C3.7°0.1°
C6N2C10C9121.7°128.7°
N2C6C2C157.7°90.0°
C6N2C7C10179.9°179.9°
C6N2C10H16118.2°111.6°
C6N2C10H171.6°8.9°
C6N2C7H112.0°9.1°
C6N2C7H10121.9°111.3°
C9C10N2C758.4°51.3°
C9C10N2H16120.1°119.7°
C9C10N2H17120.1°119.8°
C9C10H16H17119.7°120.4°
C10C9H14H15119.7°120.0°
C2C1N1C178.5°179.9°
C2C1CH2178.1°89.9°
C2C1CH158.1°150.0°
C2C1CH361.9°30.1°
C21C20C19N570.1°60.0°
C21C20C23C19124.1°120.0°
C21C20C23C22116.7°119.9°
C21C20C19C22118.6°120.0°
C21C20C19H2451.0°60.1°
C21C20C19H25168.8°180.0°
C20C21H28H26120.0°120.1°
C20C21H28H27120.0°120.0°
C20C21H26H27119.9°120.0°
C21C20C22H29180.0°180.0°
C21C20C22H3060.0°60.0°
C21C20C22H3160.0°60.0°
C21C20C23H33180.0°60.0°
C21C20C23H3460.0°59.9°
C21C20C23H3260.0°180.0°
C7N2C10H1661.6°68.5°
C7N2C10H17178.5°171.0°
N2C7H11H10120.0°120.4°
N2C7C8H1358.3°173.7°
N2C7C8H12178.7°66.2°
N2C10H16H17119.7°120.5°
C10N2C7H11177.9°170.9°
C10N2C7H1058.0°68.7°
N2C10C9H14175.5°66.1°
N2C10C9H1564.7°173.9°
N5C18C17C16176.4°179.9°
C18N5C19C2092.5°90.0°
N5C18C17H233.6°0.1°
C18N5C19H24146.4°150.0°
C18N5C19H2528.6°30.0°
C17C18N5C190.3°0.2°
C18C17C16H23180.0°180.0°
C18C17C16H22179.6°180.0°
N5C19C20C2352.1°179.9°
N5C19C20H24121.1°120.1°
N5C19C20H25121.1°120.0°
N5C19C20C22171.2°60.0°
N5C19H24H25116.6°120.0°
N1C1CH20.0°89.9°
N1C1CH1120.0°30.1°
N1C1CH3120.0°150.1°
C17C16C15H21179.9°180.0°
C23C20C19C22119.1°120.0°
C23C20C19H24173.2°60.0°
C23C20C19H2569.0°60.0°
C23C20C21H28180.0°180.0°
C23C20C21H2660.0°59.9°
C23C20C21H2760.0°60.0°
C23C20C22H2962.5°60.0°
C23C20C22H3057.5°60.0°
C23C20C22H31177.5°180.0°
C20C23H33H34120.0°120.0°
C20C23H33H32120.0°119.9°
C20C23H34H32120.0°120.1°
C1CH2H1120.0°120.1°
C1CH2H3120.0°120.0°
C1CH1H3120.0°119.9°
C20C19H24H25116.5°120.0°
C19C20C21H2856.3°60.0°
C19C20C21H26176.3°180.0°
C19C20C21H2763.7°60.0°
C19C20C22H2958.5°60.0°
C19C20C22H30178.5°180.0°
C19C20C22H3161.5°60.0°
C19C20C23H3355.9°60.0°
C19C20C23H3464.2°179.9°
C19C20C23H32175.9°59.9°
C22C20C19H2467.7°180.0°
C22C20C19H2550.1°60.0°
C22C20C21H2862.8°60.0°
C22C20C21H2657.2°60.0°
C22C20C21H27177.2°180.0°
C20C22H29H30120.0°120.0°
C20C22H29H31120.0°120.0°
C20C22H30H31120.0°120.0°
C22C20C23H3363.3°180.0°
C22C20C23H34176.7°60.0°
C22C20C23H3256.8°60.1°
H2CH1H3120.0°120.0°
H16C10C9H1455.4°174.1°
H16C10C9H15175.2°54.1°
H17C10C9H1464.4°53.7°
H17C10C9H1555.4°66.2°
H20C14C15H210.9°0.0°
H21C15C16H220.1°0.1°
H22C16C17H230.4°0.0°
H28C21H26H27120.0°120.0°
H29C22H30H31120.0°119.9°
H33C23H34H32120.0°120.0°
H6C4H4H5120.0°119.9°
H7C5H8H9120.0°120.0°
H11C7C8H1361.7°66.6°
H11C7C8H1258.7°53.5°
H10C7C8H13178.3°54.0°
H10C7C8H1261.3°174.1°

247947

PDB entries from 2026-01-21

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