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A1H02

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.37Å1.39ÅAromatic
C2C3sing1.41Å1.40ÅAromatic
C3C4doub1.38Å1.37ÅAromatic
N5C1sing1.39Å1.42ÅAromatic
C4N5sing1.39Å1.38ÅAromatic
C4C6sing1.40Å1.41ÅAromatic
C6C7doub1.33Å1.35ÅAromatic
S8C3sing1.76Å1.72ÅAromatic
C7S8sing1.76Å1.72ÅAromatic
C1C9sing1.46Å1.44Å
C9N10sing1.35Å1.38Å
N10N11sing1.40Å1.38Å
N11C12doub1.29Å1.28Å
C12N5sing1.38Å1.43Å
C9O13doub1.22Å1.22Å
C12C14sing1.51Å1.57Å
C14O15sing1.43Å1.43Å
N10C16sing1.46Å1.45Å
C16C17sing1.51Å1.52Å
C17N18sing1.35Å1.34Å
C17O19doub1.21Å1.22Å
C14C20sing1.53Å1.53Å
C14C21sing1.53Å1.53Å
C7CL22sing1.74Å1.72Å
C23N18sing1.47Å1.46Å
C23C24sing1.53Å1.53Å
C24N25sing1.47Å1.52Å
N25C26sing1.47Å1.50Å
C26C27sing1.53Å1.52Å
C27C28sing1.53Å1.53Å
C28C23sing1.53Å1.52Å
N25C29sing1.47Å1.49Å
C2H2sing1.08Å1.08Å
C16H16Asing1.09Å1.10Å
C16H16Bsing1.09Å1.10Å
C20H20Bsing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C20H20Csing1.09Å1.10Å
C21H21Csing1.09Å1.10Å
C21H21Bsing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C24H24Bsing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C29H29Bsing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C29H29Csing1.09Å1.10Å
C6H6sing1.08Å1.08Å
O15H15sing0.97Å0.95Å
N18H18sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3106.2°107.5°
C2C1N5109.0°108.4°
C2C1C9129.9°133.2°
C1C2H2126.9°126.2°
C2C3C4109.5°108.1°
C2C3S8139.6°142.2°
C3C2H2126.9°126.3°
C3C4N5108.8°107.4°
C3C4C6113.9°112.9°
C4C3S8110.8°109.6°
C1N5C4106.5°108.6°
N5C1C9121.0°118.5°
C1N5C12118.1°119.6°
N5C4C6137.3°139.7°
C4N5C12135.3°131.9°
C4C6C7110.6°115.7°
C4C6H6124.7°122.2°
C6C7S8114.1°110.5°
C6C7CL22126.6°124.8°
C7C6H6124.7°122.1°
C3S8C790.6°91.3°
S8C7CL22119.3°124.7°
C1C9N10112.8°118.0°
C1C9O13125.4°121.0°
C9N10N11126.4°120.1°
N10C9O13121.4°121.0°
C9N10C16118.5°120.0°
N10N11C12119.7°122.2°
N11N10C16114.8°119.9°
N11C12N5121.1°121.6°
N11C12C14118.1°119.2°
N5C12C14120.8°119.2°
C12C14O15108.1°109.5°
C12C14C20110.9°109.4°
C12C14C21110.3°109.5°
O15C14C20107.8°109.5°
O15C14C21108.2°109.5°
C14O15H15109.5°114.0°
N10C16C17110.8°109.5°
N10C16H16A109.1°109.5°
N10C16H16B109.1°109.5°
C16C17N18116.8°120.0°
C16C17O19120.4°120.0°
C17C16H16A109.1°109.4°
C17C16H16B109.1°109.5°
N18C17O19122.8°120.0°
C17N18C23122.7°120.0°
C17N18H18118.7°120.0°
C20C14C21111.3°109.5°
C14C20H20B109.5°109.5°
C14C20H20A109.5°109.4°
C14C20H20C109.5°109.5°
C14C21H21C109.5°109.5°
C14C21H21B109.5°109.5°
C14C21H21A109.5°109.5°
N18C23C24117.7°109.5°
N18C23C28111.0°109.5°
N18C23H23105.7°109.5°
C23N18H18118.6°120.0°
C23C24N25111.5°109.5°
C24C23C28111.1°109.3°
C24C23H23105.0°109.5°
C23C24H24B109.0°109.4°
C23C24H24A109.0°109.4°
C24N25C26110.8°111.2°
C24N25C29111.1°111.0°
N25C24H24B109.0°109.5°
N25C24H24A109.0°109.5°
N25C26C27110.8°109.5°
C26N25C29111.6°111.0°
N25C26H26B109.1°109.4°
N25C26H26A109.2°109.5°
C26C27C28111.3°109.3°
C27C26H26B109.1°109.4°
C27C26H26A109.2°109.5°
C26C27H27B109.0°109.5°
C26C27H27A109.0°109.5°
C27C28C23111.0°109.1°
C28C27H27B109.0°109.6°
C28C27H27A109.0°109.5°
C27C28H28B109.1°109.5°
C27C28H28A109.1°109.5°
C28C23H23105.1°109.6°
C23C28H28B109.1°109.6°
C23C28H28A109.1°109.5°
N25C29H29B109.5°109.5°
N25C29H29A109.5°109.5°
N25C29H29C109.5°109.5°
H16AC16H16B109.5°109.4°
H20BC20H20A109.5°109.5°
H20BC20H20C109.4°109.5°
H20AC20H20C109.4°109.5°
H21CC21H21B109.5°109.5°
H21CC21H21A109.5°109.4°
H21BC21H21A109.5°109.5°
H24BC24H24A109.5°109.5°
H26BC26H26A109.5°109.5°
H27BC27H27A109.5°109.5°
H28BC28H28A109.5°109.6°
H29BC29H29A109.4°109.5°
H29BC29H29C109.4°109.5°
H29AC29H29C109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H2180.0°180.0°
C1C2C3C40.1°0.1°
C2C1N5C9177.1°179.8°
C2C1N5C40.5°0.5°
C1C2C3S8178.7°180.0°
C2C1C9N10178.0°180.0°
C2C1N5C12176.1°179.9°
C2C1C9O134.8°0.1°
C2C3C4S8179.0°180.0°
C3C2C1N50.3°0.2°
C2C3C4N50.4°0.3°
C2C3C4C6178.8°180.0°
C2C3S8C7178.4°180.0°
C3C2C1C9176.5°180.0°
C3C4N5C10.5°0.5°
C3C4N5C6178.9°179.5°
C3C4C6C70.1°0.0°
C4C3S8C70.2°0.0°
C3C4N5C12175.2°179.9°
C4C3C2H2179.9°180.0°
C3C4C6H6179.9°179.9°
C1N5C4C12175.7°179.6°
C1N5C4C6178.4°180.0°
N5C1C9N101.5°0.3°
C1N5C12N113.6°0.4°
N5C1C9O13171.7°179.7°
C1N5C12C14175.4°179.5°
N5C1C2H2179.8°179.7°
N5C4C6C7178.9°179.5°
N5C4C3S8179.4°179.7°
C4N5C1C9176.7°179.7°
C4N5C12N11178.9°179.1°
C4N5C12C140.1°0.0°
N5C4C6H61.1°0.4°
C4C6C7H6180.0°180.0°
C6C4C3S80.2°0.0°
C4C6C7S80.1°0.0°
C6C4N5C125.9°0.4°
C4C6C7CL22177.6°180.0°
C6C7S8C30.2°0.0°
C6C7S8CL22177.9°180.0°
C3S8C7CL22177.7°180.0°
S8C3C2H21.3°0.0°
S8C7C6H6179.9°179.9°
C1C9N10O13173.5°180.0°
C1C9N10N117.5°0.0°
C9C1N5C126.8°0.1°
C1C9N10C16165.9°180.0°
C9C1C2H23.4°0.0°
C9N10N11C16173.6°179.9°
C9N10N11C1211.0°0.5°
C9N10C16C1776.8°90.0°
C9N10C16H16A43.4°30.0°
C9N10C16H16B163.0°150.0°
N10N11C12N54.7°0.7°
N11N10C9O13179.0°179.9°
N10N11C12C14176.3°179.8°
N11N10C16C1797.3°90.0°
N11N10C16H16A142.4°150.0°
N11N10C16H16B22.9°30.0°
N11C12N5C14179.0°179.1°
N11C12C14O15125.7°125.9°
C12N11N10C16162.5°179.4°
N11C12C14C207.7°114.1°
N11C12C14C21116.1°5.9°
N5C12C14O1555.2°53.2°
N5C12C14C20173.2°66.8°
N5C12C14C2163.0°173.3°
O13C9N10C167.6°0.0°
C12C14O15C20120.0°120.0°
C12C14O15C21119.5°120.0°
C12C14C20C21123.3°120.0°
C12C14C20H20B180.0°60.0°
C12C14C20H20A60.0°180.0°
C12C14C20H20C60.0°60.0°
C12C14C21H21C180.0°58.3°
C12C14C21H21B60.0°178.3°
C12C14C21H21A60.0°61.6°
C12C14O15H15180.0°60.0°
O15C14C20C21118.5°120.0°
O15C14C20H20B61.8°180.0°
O15C14C20H20A58.2°60.0°
O15C14C20H20C178.2°60.0°
O15C14C21H21C61.9°61.7°
O15C14C21H21B178.1°58.3°
O15C14C21H21A58.1°178.3°
N10C16C17H16A120.2°120.0°
N10C16C17H16B120.2°120.0°
N10C16C17N18168.3°180.0°
N10C16C17O199.6°0.0°
N10C16H16AH16B119.3°120.0°
C16C17N18O19177.8°179.9°
C16C17N18C23173.8°180.0°
C17C16H16AH16B119.4°120.0°
C16C17N18H186.3°0.0°
C17N18C23H18180.0°180.0°
C17N18C23C2467.7°85.0°
C17N18C23C28162.7°155.2°
N18C17C16H16A48.0°59.9°
N18C17C16H16B71.6°60.0°
C17N18C23H2349.2°35.1°
O19C17N18C238.5°0.0°
O19C17C16H16A129.8°120.0°
O19C17C16H16B110.6°120.0°
O19C17N18H18171.5°180.0°
C14C20H20BH20A120.0°120.0°
C14C20H20BH20C120.0°120.0°
C14C20H20AH20C120.0°120.0°
C20C14C21H21C56.4°178.3°
C20C14C21H21B63.6°61.7°
C20C14C21H21A176.4°58.3°
C20C14O15H1560.0°179.9°
C21C14C20H20B56.7°60.0°
C21C14C20H20A176.7°60.0°
C21C14C20H20C63.3°180.0°
C14C21H21CH21B120.0°120.0°
C14C21H21CH21A120.0°120.0°
C14C21H21BH21A120.0°120.0°
C21C14O15H1560.5°60.0°
CL22C7C6H62.4°0.0°
N18C23C24C28129.5°120.0°
N18C23C24H23117.3°120.0°
N18C23C24N25176.1°179.2°
N18C23C28C27173.8°177.6°
N18C23C28H23113.9°120.1°
N18C23C24H24B55.8°60.8°
N18C23C24H24A63.6°59.1°
N18C23C28H28B53.5°57.7°
N18C23C28H28A66.0°62.5°
C23C24N25H24B120.3°120.0°
C23C24N25H24A120.3°120.0°
C23C24N25C2656.7°61.7°
C24C23C28C2753.2°57.7°
C24C23C28H23113.1°119.9°
C23C24N25C29178.7°174.2°
C23C24H24BH24A119.1°119.9°
C24C23C28H28B173.5°62.3°
C24C23C28H28A67.0°177.5°
C24C23N18H18112.3°95.0°
C24N25C26C29124.3°124.1°
C24N25C26C2758.0°61.7°
N25C24C23C2854.4°59.2°
N25C24C23H2358.8°60.8°
N25C24H24BH24A119.1°120.1°
C24N25C26H26B178.1°58.2°
C24N25C26H26A62.3°178.2°
C24N25C29H29B180.0°60.0°
C24N25C29H29A60.0°180.0°
C24N25C29H29C60.0°60.1°
N25C26C27H26B120.2°119.9°
N25C26C27H26A120.2°120.0°
N25C26C27C2857.3°59.2°
C26N25C24H24B177.0°178.3°
C26N25C24H24A63.6°58.2°
N25C26H26BH26A119.4°120.0°
N25C26C27H27B62.9°60.8°
N25C26C27H27A177.6°179.1°
C26N25C29H29B55.9°64.2°
C26N25C29H29A175.8°55.8°
C26N25C29H29C64.1°175.7°
C26C27C28H27B120.3°120.0°
C26C27C28H27A120.3°119.9°
C26C27C28C2354.9°57.7°
C27C26N25C29177.7°174.2°
C27C26H26BH26A119.4°120.0°
C26C27H27BH27A119.1°120.0°
C26C27C28H28B175.2°62.2°
C26C27C28H28A65.3°177.5°
C27C28C23H28B120.2°119.9°
C27C28C23H28A120.3°119.8°
C27C28C23H2359.9°62.3°
C28C27C26H26B177.5°60.8°
C28C27C26H26A62.9°179.2°
C28C27H27BH27A119.2°120.1°
C27C28H28BH28A119.3°120.2°
C28C23C24H24B174.7°179.2°
C28C23C24H24A65.9°60.8°
C23C28C27H27B65.3°62.3°
C23C28C27H27A175.2°177.6°
C23C28H28BH28A119.3°120.2°
C28C23N18H1817.3°24.8°
C29N25C24H24B58.4°54.2°
C29N25C24H24A61.0°65.8°
C29N25C26H26B57.6°65.9°
C29N25C26H26A62.0°54.2°
N25C29H29BH29A120.0°120.1°
N25C29H29BH29C120.0°120.0°
N25C29H29AH29C120.0°120.0°
H20BC20H20AH20C119.9°120.0°
H21CC21H21BH21A120.0°120.0°
H23C23C24H24B61.5°59.2°
H23C23C24H24A179.1°179.2°
H23C23C28H28B60.3°177.8°
H23C23C28H28A179.9°57.6°
H23C23N18H18130.8°145.0°
H26BC26C27H27B57.2°179.2°
H26BC26C27H27A62.2°59.2°
H26AC26C27H27B176.8°59.2°
H26AC26C27H27A57.4°60.9°
H27BC27C28H28B54.9°177.8°
H27BC27C28H28A174.4°57.6°
H27AC27C28H28B64.6°57.7°
H27AC27C28H28A55.0°62.6°
H29BC29H29AH29C119.9°120.0°

224931

PDB entries from 2024-09-11

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