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A53

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.34ÅAromatic
C1N5sing1.38Å1.47ÅAromatic
C1C6sing1.41Å1.47Å
C2C3sing1.40Å1.47ÅAromatic
C2H2sing1.08Å1.08Å
C3C4doub1.36Å1.34ÅAromatic
C3H3sing1.08Å1.08Å
C4N5sing1.36Å1.47ÅAromatic
C4H4sing1.08Å1.08Å
N5HN5sing0.97Å1.00Å
C6C7doub1.38Å1.50Å
C6H6sing1.08Å1.08Å
C7C8sing1.47Å1.50Å
C7C11sing1.48Å1.47Å
C8N9sing1.34Å1.33Å
C8O12doub1.22Å1.22Å
N9C10sing1.39Å1.40Å
N9HN9sing0.97Å1.00Å
C10C11doub1.40Å1.46ÅAromatic
C10C13sing1.39Å1.47ÅAromatic
C11C16sing1.39Å1.46ÅAromatic
C13C14doub1.38Å1.41ÅAromatic
C13H13sing1.08Å1.08Å
C14C15sing1.40Å1.41ÅAromatic
C14H14sing1.08Å1.08Å
C15C16doub1.39Å1.42ÅAromatic
C15C17sing1.48Å1.52ÅAromatic
C16H16sing1.08Å1.08Å
C17C18sing1.39Å1.42ÅAromatic
C17C22doub1.40Å1.42ÅAromatic
C18N19doub1.32Å1.37ÅAromatic
C18H18sing1.08Å1.08Å
N19C20sing1.32Å1.36ÅAromatic
C20C21doub1.39Å1.41ÅAromatic
C20H20sing1.08Å1.08Å
C21C22sing1.39Å1.42ÅAromatic
C21O23sing1.36Å1.41Å
C22H22sing1.08Å1.08Å
O23C24sing1.43Å1.43Å
C24C25sing1.53Å1.53Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C25C26sing1.53Å1.54Å
C25N27sing1.47Å1.46Å
C25H25sing1.09Å1.10Å
C26C28sing1.51Å1.52Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
N27H271sing1.01Å1.00Å
N27H272sing1.01Å1.00Å
C28C29doub1.34Å1.40ÅAromatic
C28C32sing1.46Å1.45ÅAromatic
C29N30sing1.37Å1.35ÅAromatic
C29H29sing1.08Å1.08Å
N30C31sing1.38Å1.39ÅAromatic
N30H30sing0.97Å1.00Å
C31C32doub1.41Å1.44ÅAromatic
C31C33sing1.39Å1.40ÅAromatic
C32C36sing1.40Å1.40ÅAromatic
C33C34doub1.38Å1.42ÅAromatic
C33H33sing1.08Å1.08Å
C34C35sing1.39Å1.42ÅAromatic
C34H34sing1.08Å1.08Å
C35C36doub1.37Å1.42ÅAromatic
C35H35sing1.08Å1.08Å
C36H36sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1N5106.1°107.4°
C2C1C6126.6°126.3°
C1C2C3110.0°107.1°
C1C2H2125.0°126.4°
N5C1C6127.2°126.3°
C1N5C4108.0°108.6°
C1N5HN5126.0°125.7°
C1C6C7128.0°120.0°
C1C6H6116.0°120.1°
C3C2H2125.0°126.5°
C2C3C4109.5°108.0°
C2C3H3125.2°126.0°
C4C3H3125.2°126.0°
C3C4N5106.4°109.0°
C3C4H4126.8°125.5°
N5C4H4126.8°125.6°
C4N5HN5126.0°125.6°
C7C6H6116.0°119.9°
C6C7C8131.5°127.5°
C6C7C11123.2°127.5°
C8C7C11105.2°105.1°
C7C8N9108.4°108.0°
C7C8O12125.5°126.0°
C7C11C10106.1°106.3°
C7C11C16135.5°133.2°
N9C8O12126.1°126.0°
C8N9C10112.2°111.4°
C8N9HN9123.9°124.3°
C10N9HN9123.9°124.3°
N9C10C11108.1°109.1°
N9C10C13135.8°131.6°
C11C10C13116.1°119.2°
C10C11C16118.4°120.5°
C10C13C14122.8°120.3°
C10C13H13118.6°119.8°
C11C16C15123.8°119.6°
C11C16H16118.1°120.2°
C14C13H13118.6°119.9°
C13C14C15121.7°120.5°
C13C14H14119.2°119.7°
C15C14H14119.2°119.8°
C14C15C16117.2°119.9°
C14C15C17121.7°120.1°
C16C15C17121.0°120.1°
C15C16H16118.1°120.2°
C15C17C18123.0°120.5°
C15C17C22120.7°120.5°
C18C17C22116.3°119.0°
C17C18N19122.3°120.7°
C17C18H18118.8°119.6°
C17C22C21122.1°118.2°
C17C22H22119.0°120.9°
N19C18H18118.8°119.6°
C18N19C20120.2°121.8°
N19C20C21122.0°121.0°
N19C20H20119.0°119.4°
C21C20H20119.0°119.5°
C20C21C22117.1°119.1°
C20C21O23118.0°120.4°
C22C21O23124.9°120.4°
C21C22H22118.9°120.9°
C21O23C24117.0°106.8°
O23C24C25109.1°109.5°
O23C24H241109.6°109.5°
O23C24H242109.6°109.4°
C25C24H241109.7°109.5°
C25C24H242109.6°109.5°
C24C25C26111.5°109.5°
C24C25N27108.7°109.5°
C24C25H25109.2°109.4°
H241C24H242109.3°109.5°
C26C25N27111.1°109.5°
C26C25H25106.7°109.5°
C25C26C28109.9°109.5°
C25C26H261109.2°109.5°
C25C26H262109.3°109.5°
N27C25H25109.6°109.5°
C25N27H271109.5°106.7°
C25N27H272109.5°106.7°
C28C26H261109.2°109.4°
C28C26H262109.3°109.5°
C26C28C29126.1°126.5°
C26C28C32127.4°126.5°
H261C26H262109.8°109.5°
H271N27H272109.5°106.7°
C29C28C32106.4°107.0°
C28C29N30109.8°109.9°
C28C29H29125.1°125.0°
C28C32C31106.4°106.0°
C28C32C36133.6°134.1°
N30C29H29125.1°125.1°
C29N30C31110.5°109.8°
C29N30H30124.8°125.1°
C31N30H30124.8°125.1°
N30C31C32106.9°107.2°
N30C31C33133.0°133.5°
C32C31C33120.1°119.3°
C31C32C36119.9°119.9°
C31C33C34120.2°119.8°
C31C33H33119.9°120.1°
C32C36C35120.1°119.8°
C32C36H36119.9°120.1°
C34C33H33119.9°120.1°
C33C34C35119.9°120.6°
C33C34H34120.1°119.7°
C35C34H34120.0°119.7°
C34C35C36119.7°120.6°
C34C35H35120.1°119.7°
C36C35H35120.1°119.7°
C35C36H36119.9°120.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1N5C6179.0°179.7°
C1C2C3H2180.0°179.5°
C1C2C3C40.2°0.5°
C1C2C3H3179.9°179.8°
C2C1N5C40.2°0.3°
C2C1N5HN5179.8°179.6°
C2C1C6C7168.8°95.5°
C2C1C6H611.2°84.6°
N5C1C2C30.2°0.4°
N5C1C2H2179.8°179.9°
C1N5C4C30.1°0.0°
C1N5C4HN5180.0°179.9°
C1N5C4H4179.8°180.0°
N5C1C6C710.0°84.9°
N5C1C6H6170.0°95.1°
C6C1C2C3178.8°179.8°
C6C1C2H21.2°0.3°
C6C1N5C4178.8°180.0°
C6C1N5HN51.2°0.1°
C1C6C7H6180.0°179.9°
C1C6C7C80.7°0.2°
C1C6C7C11179.7°179.8°
C2C3C4H3180.0°179.7°
C2C3C4N50.0°0.3°
C2C3C4H4180.0°179.7°
H2C2C3C4179.8°180.0°
H2C2C3H30.1°0.3°
C3C4N5H4180.0°180.0°
C3C4N5HN5179.9°179.9°
H3C3C4N5180.0°180.0°
H3C3C4H40.0°0.0°
H4C4N5HN50.2°0.1°
C6C7C8C11179.2°179.9°
C6C7C8N9179.5°180.0°
C6C7C8O121.1°0.1°
C6C7C11C10179.3°180.0°
C6C7C11C160.7°0.2°
H6C6C7C8179.3°179.9°
H6C6C7C110.3°0.2°
C7C8N9O12179.5°180.0°
C7C8N9C100.5°0.0°
C7C8N9HN9179.6°179.9°
C8C7C11C100.1°0.0°
C8C7C11C16180.0°179.7°
C11C7C8N90.3°0.0°
C11C7C8O12179.8°180.0°
C7C11C10N90.2°0.1°
C7C11C10C16180.0°179.8°
C7C11C10C13179.9°180.0°
C7C11C16C15179.9°179.7°
C7C11C16H160.1°0.0°
C8N9C10HN9180.0°179.9°
C8N9C10C110.4°0.0°
C8N9C10C13179.9°180.0°
O12C8N9C10179.9°180.0°
O12C8N9HN90.1°0.1°
N9C10C11C13179.7°180.0°
N9C10C11C16179.8°179.7°
N9C10C13C14179.8°180.0°
N9C10C13H130.2°0.0°
HN9N9C10C11179.6°180.0°
HN9N9C10C130.1°0.1°
C11C10C13C140.2°0.1°
C11C10C13H13179.8°180.0°
C10C11C16C150.1°0.5°
C10C11C16H16179.9°179.8°
C13C10C11C160.1°0.2°
C10C13C14H13180.0°179.9°
C10C13C14C150.3°0.1°
C10C13C14H14179.7°180.0°
C11C16C15C140.2°0.5°
C11C16C15H16180.0°179.7°
C11C16C15C17179.8°179.7°
C13C14C15H14180.0°179.9°
C13C14C15C160.3°0.2°
C13C14C15C17179.7°180.0°
H13C13C14C15179.7°180.0°
H13C13C14H140.3°0.1°
C14C15C16C17180.0°179.8°
C14C15C16H16179.8°179.7°
C14C15C17C187.2°140.2°
C14C15C17C22172.9°39.6°
H14C14C15C16179.7°179.7°
H14C14C15C170.3°0.1°
C16C15C17C18172.8°40.0°
C16C15C17C227.1°140.2°
C17C15C16H160.2°0.0°
C15C17C18C22179.9°179.8°
C15C17C18N19179.8°180.0°
C15C17C18H180.2°0.0°
C15C17C22C21179.8°179.7°
C15C17C22H220.2°0.2°
C17C18N19H18180.0°180.0°
C17C18N19C200.1°0.0°
C18C17C22C210.2°0.5°
C18C17C22H22179.8°180.0°
C22C17C18N190.1°0.2°
C22C17C18H18179.9°179.8°
C17C22C21C200.2°0.5°
C17C22C21H22180.0°179.6°
C17C22C21O23179.9°179.8°
C18N19C20C210.2°0.0°
C18N19C20H20179.8°180.0°
H18C18N19C20179.9°180.0°
N19C20C21H20180.0°180.0°
N19C20C21C220.2°0.3°
N19C20C21O23179.9°180.0°
C20C21C22O23179.9°179.8°
C20C21C22H22179.8°180.0°
C20C21O23C24116.9°0.0°
H20C20C21C22179.8°179.8°
H20C20C21O230.1°0.0°
C22C21O23C2463.2°179.7°
O23C21C22H220.1°0.2°
C21O23C24C2598.3°180.0°
C21O23C24H241141.6°60.0°
C21O23C24H24221.7°60.0°
O23C24C25H241120.1°120.0°
O23C24C25H242120.0°120.0°
O23C24H241H242120.1°120.0°
O23C24C25C26156.0°175.0°
O23C24C25N2781.3°65.0°
O23C24C25H2538.3°55.0°
C25C24H241H242120.1°120.0°
C24C25C26N27121.4°120.0°
C24C25C26H25119.2°120.0°
C24C25N27H25119.3°119.9°
C24C25C26C28112.8°175.0°
C24C25C26H2617.0°65.0°
C24C25C26H262127.2°55.0°
C24C25N27H2719.6°60.0°
C24C25N27H272110.4°173.8°
H241C24C25C2635.9°55.0°
H241C24C25N27158.6°175.0°
H241C24C25H2581.8°65.0°
H242C24C25C2684.0°65.1°
H242C24C25N2738.7°55.0°
H242C24C25H25158.3°174.9°
C26C25N27H25117.7°120.1°
C25C26C28H261119.8°120.0°
C25C26C28H262120.0°120.0°
C25C26H261H262119.9°120.0°
C26C25N27H271113.4°60.0°
C26C25N27H272126.6°53.8°
C25C26C28C2956.7°95.0°
C25C26C28C32123.7°84.7°
N27C25C26C28125.9°65.0°
N27C25C26H261114.3°55.0°
N27C25C26H2625.9°175.0°
C25N27H271H272120.0°113.8°
H25C25C26C286.4°55.1°
H25C25C26H261126.2°175.0°
H25C25C26H262113.6°65.0°
H25C25N27H271128.9°179.9°
H25C25N27H2728.9°66.3°
C28C26H261H262119.9°120.0°
C26C28C29C32179.7°179.7°
C26C28C29N30179.9°180.0°
C26C28C29H290.1°0.0°
C26C28C32C31180.0°179.9°
C26C28C32C360.5°0.8°
H261C26C28C29176.6°145.0°
H261C26C28C323.8°35.3°
H262C26C28C2963.3°25.0°
H262C26C28C32116.4°155.3°
C28C29N30H29180.0°180.0°
C28C29N30C310.0°0.0°
C28C29N30H30180.0°180.0°
C29C28C32C310.3°0.4°
C29C28C32C36179.8°179.5°
C32C28C29N300.2°0.2°
C32C28C29H29179.8°179.8°
C28C32C31N300.3°0.4°
C28C32C31C36179.6°179.2°
C28C32C31C33179.9°179.8°
C28C32C36C35180.0°179.6°
C28C32C36H360.0°0.7°
C29N30C31H30180.0°179.9°
C29N30C31C320.2°0.3°
C29N30C31C33179.8°180.0°
H29C29N30C31180.0°180.0°
H29C29N30H300.0°0.1°
N30C31C32C33179.6°179.8°
N30C31C32C36179.9°179.7°
N30C31C33C34179.8°180.0°
N30C31C33H330.2°0.1°
H30N30C31C32179.8°179.8°
H30N30C31C330.2°0.1°
C32C31C33C340.3°0.3°
C32C31C33H33179.7°179.7°
C31C32C36C350.5°0.6°
C31C32C36H36179.5°179.7°
C33C31C32C360.5°0.6°
C31C33C34H33180.0°180.0°
C31C33C34C350.2°0.0°
C31C33C34H34179.8°180.0°
C32C36C35C340.4°0.4°
C32C36C35H36180.0°179.7°
C32C36C35H35179.7°179.7°
C33C34C35H34180.0°180.0°
C33C34C35C360.2°0.1°
C33C34C35H35179.8°180.0°
H33C33C34C35179.9°180.0°
H33C33C34H340.2°0.0°
C34C35C36H35180.0°179.9°
C34C35C36H36179.6°179.9°
H34C34C35C36179.8°180.0°
H34C34C35H350.2°0.0°
H35C35C36H360.3°0.0°

223532

PDB entries from 2024-08-07

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