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QY5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C20sing1.53Å1.52Å
O21C22doub1.21Å1.22Å
C10C9doub1.38Å1.37ÅAromatic
C10N11sing1.32Å1.33ÅAromatic
C9C8sing1.40Å1.40ÅAromatic
O3C4doub1.21Å1.23Å
C22C20sing1.51Å1.53Å
C22N23sing1.35Å1.36Å
BR2C25sing1.89Å1.92Å
N11C12doub1.32Å1.34ÅAromatic
C1N23sing1.46Å1.46Å
C1C2sing1.53Å1.51Å
C4C2sing1.51Å1.49Å
C4N5sing1.35Å1.35Å
N23C26sing1.40Å1.43Å
C8N5sing1.40Å1.40Å
C8C7doub1.39Å1.40ÅAromatic
C34C35sing1.51Å1.49Å
C12C7sing1.39Å1.42ÅAromatic
C12N15sing1.40Å1.42Å
C25C26doub1.39Å1.40ÅAromatic
C25C30sing1.39Å1.42ÅAromatic
C26C27sing1.39Å1.39ÅAromatic
C7BR1sing1.89Å1.92Å
C35N36doub1.30Å1.32ÅAromatic
C35N33sing1.36Å1.38ÅAromatic
C16C17sing1.51Å1.48Å
N36C31sing1.34Å1.38ÅAromatic
N15C17sing1.36Å1.38ÅAromatic
N15C14sing1.37Å1.39ÅAromatic
C17N18doub1.31Å1.32ÅAromatic
C30N33sing1.40Å1.43Å
C30N29doub1.32Å1.34ÅAromatic
C27C28doub1.38Å1.38ÅAromatic
N33C32sing1.37Å1.39ÅAromatic
C14C13doub1.35Å1.35ÅAromatic
C31C32doub1.35Å1.35ÅAromatic
N18C13sing1.34Å1.38ÅAromatic
C28N29sing1.32Å1.34ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C9H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C13H7sing1.08Å1.08Å
C14H8sing1.08Å1.08Å
C16H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C27H17sing1.08Å1.08Å
C31H18sing1.08Å1.08Å
C32H19sing1.08Å1.08Å
C34H20sing1.09Å1.10Å
C34H21sing1.09Å1.10Å
C34H22sing1.09Å1.10Å
N5H23sing0.97Å1.00Å
C28H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C20C22114.8°109.5°
C20C19H12109.5°109.5°
C20C19H13109.4°109.5°
C20C19H14109.5°109.5°
C19C20H15108.2°109.5°
C19C20H16108.1°109.5°
O21C22C20120.6°120.0°
O21C22N23121.6°120.0°
C9C10N11123.3°120.9°
C10C9C8119.6°119.2°
C10C9H5120.2°120.4°
C9C10H6118.3°119.6°
C10N11C12117.3°121.8°
N11C10H6118.4°119.5°
C9C8N5119.6°120.8°
C9C8C7119.2°118.4°
C8C9H5120.2°120.3°
O3C4C2121.6°120.0°
O3C4N5125.0°120.0°
C20C22N23117.8°120.0°
C22C20H15108.1°109.5°
C22C20H16108.1°109.4°
C22N23C1120.0°120.0°
C22N23C26124.0°120.0°
BR2C25C26121.6°120.5°
BR2C25C30123.7°120.5°
N11C12C7124.9°120.7°
N11C12N15114.3°119.7°
N23C1C2111.2°109.5°
C1N23C26116.0°120.0°
N23C1H1109.1°109.5°
N23C1H2109.0°109.4°
C1C2C4113.0°109.5°
C2C1H1109.0°109.5°
C2C1H2109.1°109.5°
C1C2H3108.6°109.5°
C1C2H4108.6°109.5°
C2C4N5113.4°120.0°
C4C2H3108.6°109.5°
C4C2H4108.6°109.4°
C4N5C8126.4°120.0°
C4N5H23116.8°120.0°
N23C26C25119.2°120.8°
N23C26C27119.4°120.9°
N5C8C7121.3°120.8°
C8N5H23116.8°120.0°
C8C7C12115.8°119.0°
C8C7BR1124.4°120.5°
C34C35N36124.9°125.7°
C34C35N33123.9°125.7°
C35C34H20109.5°109.5°
C35C34H21109.5°109.5°
C35C34H22109.4°109.5°
C7C12N15120.7°119.6°
C12C7BR1119.7°120.5°
C12N15C17128.4°126.5°
C12N15C14124.7°126.5°
C26C25C30114.7°118.9°
C25C26C27121.3°118.4°
C25C30N33119.6°119.6°
C25C30N29124.9°120.7°
C26C27C28118.1°119.2°
C26C27H17121.0°120.4°
N36C35N33111.1°108.6°
C35N36C31105.4°109.3°
C35N33C30129.8°126.5°
C35N33C32106.5°107.0°
C16C17N15123.7°125.7°
C16C17N18125.0°125.7°
C17C16H9109.5°109.4°
C17C16H10109.5°109.5°
C17C16H11109.5°109.5°
N36C31C32111.0°108.2°
N36C31H18124.5°125.9°
C17N15C14106.5°107.0°
N15C17N18111.0°108.5°
N15C14C13105.9°106.8°
N15C14H8127.1°126.6°
C17N18C13105.5°109.4°
N33C30N29115.5°119.6°
C30N33C32123.6°126.5°
C30N29C28117.1°121.8°
C27C28N29123.8°120.9°
C28C27H17121.0°120.4°
C27C28H24118.1°119.5°
N33C32C31105.9°106.8°
N33C32H19127.1°126.6°
C14C13N18111.1°108.2°
C14C13H7124.5°125.9°
C13C14H8127.1°126.6°
C32C31H18124.5°125.9°
C31C32H19127.1°126.6°
N18C13H7124.5°125.9°
N29C28H24118.1°119.6°
H1C1H2109.5°109.5°
H3C2H4109.4°109.5°
H9C16H10109.5°109.5°
H9C16H11109.5°109.5°
H10C16H11109.5°109.5°
H12C19H13109.5°109.5°
H12C19H14109.5°109.4°
H13C19H14109.5°109.5°
H15C20H16109.5°109.5°
H20C34H21109.5°109.5°
H20C34H22109.5°109.4°
H21C34H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C20C22O2124.5°0.1°
C19C20C22H15120.8°120.0°
C19C20C22H16120.8°120.0°
C19C20C22N23156.9°180.0°
C20C19H12H13120.0°120.0°
C20C19H12H14120.0°120.0°
C20C19H13H14120.0°120.0°
C19C20H15H16117.6°120.0°
O21C22C20N23178.6°179.9°
O21C22N23C11.8°0.0°
O21C22N23C26177.9°180.0°
O21C22C20H15145.3°119.9°
O21C22C20H1696.3°120.0°
C9C10N11H6180.0°179.9°
C10C9C8H5180.0°180.0°
C9C10N11C120.0°0.2°
C10C9C8N5178.3°180.0°
C10C9C8C70.2°0.0°
N11C10C9C80.2°0.0°
C10N11C12C70.6°0.5°
C10N11C12N15176.7°179.7°
N11C10C9H5179.8°180.0°
C9C8N5C436.3°24.4°
C9C8N5C7178.1°180.0°
C9C8C7C120.7°0.2°
C9C8C7BR1174.6°179.9°
C8C9C10H6179.8°180.0°
C9C8N5H23143.7°155.5°
O3C4C2C118.4°0.0°
O3C4C2N5179.3°180.0°
O3C4N5C810.6°4.4°
O3C4C2H3138.9°120.0°
O3C4C2H4102.2°120.0°
O3C4N5H23169.3°175.6°
C20C22N23C1179.6°179.9°
C20C22N23C260.7°0.1°
C22C20C19H12180.0°60.0°
C22C20C19H1360.0°60.0°
C22C20C19H1460.0°180.0°
C22C20H15H16117.5°120.0°
C22N23C1C26179.7°180.0°
C22N23C1C278.5°90.0°
C22N23C26C2597.3°90.0°
C22N23C26C2784.2°90.0°
C22N23C1H141.7°30.0°
C22N23C1H2161.2°150.0°
N23C22C20H1536.1°60.0°
N23C22C20H1682.3°60.1°
BR2C25C26N231.3°0.0°
BR2C25C26C30179.3°179.5°
BR2C25C26C27177.2°180.0°
BR2C25C30N332.4°0.3°
BR2C25C30N29177.9°179.8°
N11C12C7C81.0°0.5°
N11C12C7N15177.1°179.8°
N11C12C7BR1174.6°179.8°
N11C12N15C1770.0°49.4°
N11C12N15C14102.3°130.6°
C12N11C10H6180.0°179.7°
N23C1C2H1120.3°120.0°
N23C1C2H2120.3°120.0°
N23C1C2C4168.1°180.0°
C1N23C26C2583.0°90.0°
C1N23C26C2795.5°90.0°
N23C1H1H2119.2°120.0°
N23C1C2H371.4°60.0°
N23C1C2H447.5°60.1°
C1C2C4H3120.5°120.0°
C1C2C4H4120.5°119.9°
C1C2C4N5162.3°180.0°
C2C1N23C26101.2°90.0°
C2C1H1H2119.2°120.0°
C1C2H3H4118.4°120.0°
C2C4N5C8168.6°175.6°
C4C2C1H147.8°60.0°
C4C2C1H271.7°60.0°
C4C2H3H4118.4°120.0°
C2C4N5H2311.4°4.4°
C4N5C8H23180.0°179.9°
C4N5C8C7141.8°155.6°
N5C4C2H341.8°60.0°
N5C4C2H477.1°60.0°
N23C26C25C27178.5°180.0°
N23C26C25C30179.4°179.5°
N23C26C27C28179.2°180.0°
C26N23C1H1138.5°150.0°
C26N23C1H219.0°30.1°
N23C26C27H170.9°0.3°
N5C8C7C12178.8°179.8°
N5C8C7BR13.4°0.1°
N5C8C9H51.7°0.0°
C8C7C12BR1175.6°179.7°
C8C7C12N15176.1°179.7°
C7C8C9H5179.8°180.0°
C7C8N5H2338.2°24.5°
C34C35N36N33176.0°179.6°
C34C35N36C31174.7°180.0°
C34C35N33C307.5°0.2°
C34C35N33C32174.5°179.9°
C35C34H20H21120.0°120.1°
C35C34H20H22120.0°119.9°
C35C34H21H22120.0°120.0°
C7C12N15C17107.4°130.4°
C7C12N15C1480.3°49.6°
N15C12C7BR18.2°0.0°
C12N15C17C1614.2°0.0°
C12N15C17C14173.4°180.0°
C12N15C17N18171.3°180.0°
C12N15C14C13172.5°179.8°
C12N15C14H87.5°0.2°
C26C25C30N33178.3°179.7°
C26C25C30N291.4°0.8°
C25C26C27C280.7°0.0°
C25C26C27H17179.3°179.7°
C30C25C26C272.1°0.5°
C25C30N33C3566.9°130.6°
C25C30N33N29179.8°179.5°
C25C30N33C32110.8°49.5°
C25C30N29C280.7°0.5°
C26C27C28H17180.0°179.7°
C26C27C28N291.7°0.3°
C26C27C28H24178.3°179.7°
N36C35N33C30176.5°179.8°
N36C35N33C321.6°0.3°
C35N36C31C320.6°0.4°
C35N36C31H18179.4°179.9°
N36C35C34H200.0°89.9°
N36C35C34H21120.0°150.0°
N36C35C34H22120.0°30.0°
N33C35N36C311.3°0.4°
C35N33C30C32177.7°179.9°
C35N33C30N29112.9°49.9°
C35N33C32C311.1°0.0°
C35N33C32H19178.9°180.0°
N33C35C34H20175.5°90.5°
N33C35C34H2164.5°29.6°
N33C35C34H2255.5°149.6°
C16C17N15N18174.5°180.0°
C16C17N15C14172.4°180.0°
C16C17N18C13172.3°179.8°
C17C16H9H10120.0°120.0°
C17C16H9H11120.0°120.0°
C17C16H10H11120.0°120.0°
N36C31C32N330.3°0.2°
N36C31C32H18180.0°179.7°
N36C31C32H19179.7°179.8°
C17N15C14C131.2°0.2°
N15C17N18C132.0°0.2°
C17N15C14H8178.8°179.8°
N15C17C16H9173.7°90.0°
N15C17C16H1053.7°150.0°
N15C17C16H1166.3°30.0°
C14N15C17N182.1°0.0°
N15C14C13H8180.0°180.0°
N15C14C13N180.0°0.3°
N15C14C13H7179.9°179.9°
C17N18C13C141.3°0.3°
C17N18C13H7178.7°179.9°
N18C17C16H90.0°90.0°
N18C17C16H10120.0°30.0°
N18C17C16H11120.0°150.0°
C30N33C32C31177.1°180.0°
N33C30N29C28179.5°180.0°
C30N33C32H192.9°0.1°
C30N29C28C272.4°0.0°
N29C30N33C3269.4°130.0°
C30N29C28H24177.6°179.9°
C27C28N29H24180.0°180.0°
N33C32C31H19180.0°180.0°
N33C32C31H18179.7°179.9°
C14C13N18H7180.0°179.7°
N18C13C14H8180.0°179.7°
N29C28C27H17178.3°180.0°
H1C1C2H3168.4°60.0°
H1C1C2H472.7°180.0°
H2C1C2H348.9°180.0°
H2C1C2H4167.8°60.0°
H5C9C10H60.2°0.1°
H7C13C14H80.1°0.1°
H9C16H10H11120.0°120.0°
H12C19H13H14120.0°120.0°
H12C19C20H1559.2°60.0°
H12C19C20H1659.2°180.0°
H13C19C20H1560.8°180.0°
H13C19C20H16179.2°60.0°
H14C19C20H15179.3°60.0°
H14C19C20H1660.8°60.0°
H17C27C28H241.8°0.0°
H18C31C32H190.3°0.0°
H20C34H21H22120.0°119.9°

222624

PDB entries from 2024-07-17

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