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A1BHL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1doub1.22Å1.24Å
C1C2sing1.41Å1.42Å
C2N1sing1.36Å1.39ÅAromatic
N1C3doub1.30Å1.31ÅAromatic
C2C4doub1.40Å1.39ÅAromatic
C4N2sing1.37Å1.38ÅAromatic
N2C5sing1.47Å1.46Å
C5O2sing1.43Å1.40Å
O2C6sing1.43Å1.42Å
C6C7sing1.53Å1.51Å
C7N3sing1.47Å1.46Å
N3C8sing1.35Å1.34Å
C8C9sing1.51Å1.51Å
C9C10sing1.53Å1.54Å
C10C11sing1.53Å1.53Å
C11C12sing1.53Å1.52Å
C12N4sing1.46Å1.46Å
N4C13sing1.35Å1.34Å
C13C14sing1.48Å1.50Å
C14C15doub1.41Å1.41ÅAromatic
C15O3sing1.36Å1.36Å
C15C16sing1.36Å1.38ÅAromatic
C16BR1sing1.89Å1.90Å
C14C17sing1.39Å1.37ÅAromatic
C17C18doub1.40Å1.41ÅAromatic
C18C19sing1.42Å1.42ÅAromatic
C19C20sing1.41Å1.42ÅAromatic
C20C21doub1.36Å1.36ÅAromatic
C21C22sing1.39Å1.40ÅAromatic
C22BR2sing1.89Å1.91Å
C22C23doub1.36Å1.36ÅAromatic
C13O4doub1.22Å1.23Å
C8O5doub1.21Å1.23Å
C4N5sing1.34Å1.35Å
N5C24doub1.32Å1.33Å
C24N6sing1.37Å1.34Å
C24N7sing1.36Å1.37Å
C1N7sing1.35Å1.40Å
C3N2sing1.36Å1.38ÅAromatic
C16C19doub1.41Å1.42ÅAromatic
C18C23sing1.41Å1.41ÅAromatic
N3H8sing0.97Å1.00Å
C5H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C17H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C23H22sing1.08Å1.08Å
C3H1sing1.08Å1.08Å
C9H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
N4H17sing0.97Å1.00Å
N6H23sing0.97Å1.00Å
N6H24sing0.97Å1.00Å
N7H25sing0.97Å1.00Å
O3H18sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2128.0°120.8°
O1C1N7120.3°120.8°
C1C2N1130.3°134.1°
C1C2C4118.8°118.6°
C2C1N7111.7°118.4°
C2N1C3104.1°109.3°
N1C2C4110.9°107.3°
N1C3N2113.4°109.9°
N1C3H1123.3°125.1°
C2C4N2105.2°106.1°
C2C4N5128.3°119.8°
C4N2C5128.0°126.3°
N2C4N5126.5°134.2°
C4N2C3106.4°107.5°
N2C5O2111.6°109.5°
C5N2C3125.6°126.3°
N2C5H2109.0°109.4°
N2C5H3109.0°109.5°
C5O2C6113.0°114.0°
O2C5H2108.9°109.4°
O2C5H3108.9°109.5°
O2C6C7109.7°109.5°
O2C6H4109.4°109.5°
O2C6H5109.5°109.5°
C6C7N3111.9°109.5°
C7C6H4109.4°109.5°
C7C6H5109.4°109.5°
C6C7H6108.8°109.5°
C6C7H7108.9°109.5°
C7N3C8124.0°120.0°
C7N3H8118.0°120.0°
N3C7H6108.9°109.5°
N3C7H7108.8°109.4°
N3C8C9117.6°120.0°
N3C8O5120.9°119.9°
C8N3H8118.0°120.0°
C8C9C10113.5°109.5°
C9C8O5121.4°120.0°
C8C9H9108.5°109.4°
C8C9H10108.5°109.5°
C9C10C11115.9°109.5°
C9C10H11107.8°109.5°
C9C10H12107.8°109.5°
C10C9H9108.4°109.5°
C10C9H10108.5°109.5°
C10C11C12116.3°109.5°
C11C10H11107.8°109.5°
C11C10H12107.9°109.5°
C10C11H13107.8°109.5°
C10C11H14107.8°109.5°
C11C12N4112.2°109.5°
C12C11H13107.7°109.4°
C12C11H14107.8°109.5°
C11C12H15108.8°109.4°
C11C12H16108.8°109.5°
C12N4C13123.2°120.0°
N4C12H15108.8°109.5°
N4C12H16108.8°109.4°
C12N4H17118.4°120.0°
N4C13C14118.9°120.0°
N4C13O4121.8°120.0°
C13N4H17118.4°120.0°
C13C14C15122.4°119.8°
C13C14C17119.1°119.8°
C14C13O4119.3°120.0°
C14C15O3120.7°119.7°
C14C15C16120.4°120.7°
C15C14C17118.4°120.4°
O3C15C16118.9°119.6°
C15O3H18109.5°114.0°
C15C16BR1117.7°120.1°
C15C16C19121.9°120.0°
BR1C16C19120.4°120.0°
C14C17C18122.6°119.6°
C14C17H19118.7°120.2°
C17C18C19119.0°119.6°
C17C18C23122.0°121.1°
C18C17H19118.7°120.2°
C18C19C20118.3°119.3°
C18C19C16117.6°119.7°
C19C18C23119.0°119.3°
C19C20C21121.6°119.7°
C20C19C16124.1°121.0°
C19C20H20119.2°120.2°
C20C21C22119.1°121.0°
C21C20H20119.2°120.1°
C20C21H21120.4°119.5°
C21C22BR2118.6°119.5°
C21C22C23121.8°121.0°
C22C21H21120.5°119.5°
BR2C22C23119.6°119.5°
C22C23C18120.2°119.6°
C22C23H22119.9°120.2°
C4N5C24112.3°121.1°
N5C24N6120.0°119.0°
N5C24N7123.4°121.9°
N6C24N7116.5°119.1°
C24N6H23120.0°120.0°
C24N6H24120.0°120.1°
C24N7C1125.4°120.3°
C24N7H25117.3°119.8°
C1N7H25117.3°119.9°
N2C3H1123.3°125.1°
C18C23H22119.9°120.2°
H2C5H3109.5°109.4°
H4C6H5109.5°109.5°
H6C7H7109.5°109.4°
H11C10H12109.5°109.4°
H13C11H14109.4°109.5°
H15C12H16109.5°109.5°
H9C9H10109.4°109.4°
H23N6H24120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2N7178.0°180.0°
O1C1C2N11.4°0.0°
O1C1C2C4178.4°180.0°
O1C1N7C24178.7°180.0°
O1C1N7H251.3°0.1°
C1C2N1C4179.8°180.0°
C1C2N1C3179.3°180.0°
C1C2C4N2179.9°180.0°
C1C2C4N50.3°0.0°
C2C1N7C240.5°0.0°
C2C1N7H25179.5°179.9°
N1C2C4N20.3°0.0°
N1C2C4N5179.9°180.0°
N1C2C1N7179.4°180.0°
C2N1C3N21.0°0.0°
C2N1C3H1179.0°180.0°
C3N1C2C40.4°0.0°
N1C3N2C41.2°0.0°
N1C3N2C5179.2°180.0°
N1C3N2H1180.0°180.0°
C2C4N2N5179.7°180.0°
C2C4N2C5178.7°180.0°
C2C4N5C240.8°0.0°
C4C2C1N70.4°0.0°
C2C4N2C30.8°0.0°
C4N2C5C3177.5°180.0°
C4N2C5O263.4°180.0°
N2C4N5C24179.6°180.0°
C4N2C5H2176.3°60.0°
C4N2C5H356.9°59.9°
C4N2C3H1178.8°180.0°
N2C5O2H2120.3°119.9°
N2C5O2H3120.3°120.1°
N2C5O2C6107.3°180.0°
C5N2C4N51.6°0.0°
N2C5H2H3119.1°120.0°
C5N2C3H10.8°0.0°
C5O2C6C7178.9°180.0°
O2C5N2C3114.2°0.1°
O2C5H2H3119.0°120.0°
C5O2C6H458.8°59.9°
C5O2C6H561.1°60.0°
O2C6C7H4120.0°120.0°
O2C6C7H5120.1°120.0°
O2C6C7N362.3°65.0°
C6O2C5H213.1°60.1°
C6O2C5H3132.4°59.9°
O2C6H4H5119.9°120.0°
O2C6C7H658.1°55.1°
O2C6C7H7177.4°175.0°
C6C7N3H6120.4°120.1°
C6C7N3H7120.4°120.0°
C6C7N3C893.0°180.0°
C6C7N3H887.0°0.1°
C7C6H4H5119.9°120.0°
C6C7H6H7118.9°120.0°
C7N3C8H8180.0°179.9°
C7N3C8C93.3°180.0°
C7N3C8O5177.8°0.1°
N3C7C6H4177.7°175.0°
N3C7C6H557.8°55.0°
N3C7H6H7118.9°119.9°
N3C8C9O5178.9°180.0°
N3C8C9C10148.0°180.0°
C8N3C7H627.3°59.9°
C8N3C7H7146.6°60.0°
N3C8C9H991.4°60.0°
N3C8C9H1027.4°59.9°
C8C9C10H9120.6°120.0°
C8C9C10H10120.6°120.0°
C8C9C10C11153.1°180.0°
C9C8N3H8176.7°0.0°
C8C9C10H1132.2°60.0°
C8C9C10H1285.9°60.0°
C8C9H9H10118.2°120.0°
C9C10C11H11120.9°120.0°
C9C10C11H12120.9°120.0°
C9C10C11C12133.2°180.0°
C10C9C8O530.8°0.0°
C9C10H11H12117.0°120.0°
C9C10C11H13105.8°60.0°
C9C10C11H1412.2°60.0°
C10C9H9H10118.1°120.0°
C10C11C12H13121.0°120.0°
C10C11C12H14121.0°120.0°
C10C11C12N495.0°180.0°
C11C10H11H12117.1°120.0°
C10C11H13H14116.9°120.0°
C10C11C12H15144.6°60.0°
C10C11C12H1625.4°60.0°
C11C10C9H986.3°60.0°
C11C10C9H1032.5°60.0°
C11C12N4H15120.4°120.0°
C11C12N4H16120.4°120.0°
C11C12N4C1385.1°180.0°
C12C11C10H1112.3°60.0°
C12C11C10H12105.9°60.0°
C12C11H13H14116.9°120.0°
C11C12H15H16118.8°120.0°
C11C12N4H1794.9°0.0°
C12N4C13H17180.0°179.9°
C12N4C13C144.6°180.0°
C12N4C13O4176.0°0.0°
N4C12C11H1326.0°60.0°
N4C12C11H14144.0°60.0°
N4C12H15H16118.7°120.0°
N4C13C14O4179.4°180.0°
N4C13C14C15122.8°180.0°
N4C13C14C1759.9°0.0°
C13N4C12H15154.4°60.0°
C13N4C12H1635.3°60.0°
C13C14C15C17177.3°180.0°
C13C14C15O31.8°0.0°
C13C14C15C16179.6°179.8°
C13C14C17C18179.3°180.0°
C13C14C17H190.8°0.3°
C14C13N4H17175.4°0.1°
C14C15O3C16178.7°179.7°
C14C15C16BR1178.6°179.7°
C15C14C17C183.4°0.0°
C15C14C13O457.8°0.0°
C14C15C16C190.4°0.3°
C15C14C17H19176.6°179.7°
C14C15O3H18180.0°89.7°
O3C15C16BR10.1°0.0°
O3C15C14C17179.1°180.0°
O3C15C16C19179.0°180.0°
C15C16BR1C19179.0°180.0°
C16C15C14C172.3°0.2°
C15C16C19C180.5°0.0°
C15C16C19C20179.5°180.0°
C16C15O3H181.4°90.0°
BR1C16C19C18179.5°180.0°
BR1C16C19C200.5°0.0°
C14C17C18H19180.0°179.7°
C14C17C18C192.5°0.3°
C17C14C13O4119.5°180.0°
C14C17C18C23178.0°180.0°
C17C18C19C23179.5°179.8°
C17C18C19C20179.5°179.7°
C17C18C23C22179.3°179.7°
C17C18C19C160.5°0.2°
C17C18C23H220.6°0.2°
C18C19C20C16180.0°180.0°
C18C19C20C210.7°0.0°
C19C18C23C221.2°0.1°
C19C18C17H19177.5°180.0°
C18C19C20H20179.3°179.9°
C19C18C23H22178.8°179.9°
C19C20C21H20180.0°179.9°
C19C20C21C220.3°0.1°
C20C19C18C230.1°0.0°
C19C20C21H21179.7°179.9°
C20C21C22H21180.0°180.0°
C20C21C22BR2179.9°180.0°
C20C21C22C230.8°0.1°
C21C20C19C16179.3°179.9°
C21C22BR2C23179.1°179.9°
C21C22C23C181.6°0.0°
C22C21C20H20179.7°180.0°
C21C22C23H22178.4°179.9°
BR2C22C23C18179.3°179.9°
BR2C22C21H210.1°0.0°
BR2C22C23H220.7°0.0°
C22C23C18H22180.0°179.9°
C23C22C21H21179.2°180.0°
O4C13N4H174.0°180.0°
O5C8N3H82.2°180.0°
O5C8C9H989.8°120.0°
O5C8C9H10151.5°120.0°
C4N5C24N6179.4°180.0°
C4N5C24N70.7°0.0°
N5C4N2C3179.5°180.0°
N5C24N6N7179.9°180.0°
N5C24N7C10.0°0.0°
N5C24N6H230.0°180.0°
N5C24N6H24180.0°0.1°
N5C24N7H25180.0°179.9°
N6C24N7C1179.9°180.0°
C24N6H23H24180.0°180.0°
N6C24N7H250.1°0.1°
C24N7C1H25180.0°179.9°
N7C24N6H23179.9°0.0°
N7C24N6H240.1°180.0°
C3N2C5H26.1°120.0°
C3N2C5H3125.6°120.0°
C16C19C18C23179.9°180.0°
C16C19C20H200.7°0.0°
C23C18C17H192.0°0.3°
H8N3C7H6152.7°120.0°
H8N3C7H733.4°120.1°
H4C6C7H661.9°65.0°
H4C6C7H757.4°55.0°
H5C6C7H6178.2°175.1°
H5C6C7H762.5°65.0°
H11C10C11H13133.3°60.0°
H11C10C11H14108.7°180.0°
H11C10C9H9152.8°60.0°
H11C10C9H1088.4°180.0°
H12C10C11H1315.1°179.9°
H12C10C11H14133.1°60.0°
H12C10C9H934.7°180.0°
H12C10C9H10153.4°60.0°
H20C20C21H210.3°0.0°
H13C11C12H1594.4°180.0°
H13C11C12H16146.4°60.0°
H14C11C12H1523.6°60.0°
H14C11C12H1695.6°180.0°
H15C12N4H1725.5°119.9°
H16C12N4H17144.7°120.0°

251174

PDB entries from 2026-03-25

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