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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O10C11sing1.43Å1.44Å
O10C9sing1.43Å1.44Å
C11C12sing1.53Å1.52Å
C12C7sing1.53Å1.53Å
C9C8sing1.53Å1.52Å
C8C7sing1.53Å1.53Å
C7N6sing1.46Å1.45Å
N6C5sing1.38Å1.34Å
C5N13doub1.32Å1.35ÅAromatic
C5N4sing1.32Å1.35ÅAromatic
N13C14sing1.33Å1.32ÅAromatic
N4C3doub1.32Å1.33ÅAromatic
C14C15sing1.48Å1.49Å
C14C2doub1.40Å1.39ÅAromatic
C3C2sing1.39Å1.39ÅAromatic
C15C38doub1.39Å1.40ÅAromatic
C15C16sing1.40Å1.39ÅAromatic
C38C37sing1.39Å1.39ÅAromatic
C2CL1sing1.74Å1.73Å
C16C17doub1.38Å1.39ÅAromatic
O36C35doub1.22Å1.22Å
C37C35sing1.48Å1.48Å
C37C18doub1.40Å1.38ÅAromatic
C35N20sing1.34Å1.36Å
C17C18sing1.38Å1.37ÅAromatic
C18C19sing1.51Å1.50Å
N20C19sing1.47Å1.46Å
N20C21sing1.47Å1.45Å
C21C22sing1.51Å1.52Å
C32C31doub1.38Å1.37ÅAromatic
C32C33sing1.38Å1.39ÅAromatic
C34C33sing1.51Å1.51Å
C34N24sing1.47Å1.46Å
C31C30sing1.38Å1.38ÅAromatic
C22N24sing1.35Å1.36Å
C22O23doub1.21Å1.22Å
C33C28doub1.38Å1.40ÅAromatic
N24C25sing1.46Å1.46Å
C30C29doub1.38Å1.37ÅAromatic
C28C29sing1.38Å1.39ÅAromatic
C28C27sing1.51Å1.50Å
C25C26sing1.52Å1.51Å
C27C26sing1.53Å1.51Å
C3H39sing1.08Å1.08Å
C7H41sing1.09Å1.10Å
C8H42sing1.09Å1.10Å
C8H43sing1.09Å1.10Å
C11H46sing1.09Å1.10Å
C11H47sing1.09Å1.10Å
C12H49sing1.09Å1.10Å
C12H48sing1.09Å1.10Å
C16H50sing1.08Å1.08Å
C19H53sing1.09Å1.10Å
C19H52sing1.09Å1.10Å
C21H54sing1.09Å1.10Å
C21H55sing1.09Å1.10Å
C25H57sing1.09Å1.10Å
C25H56sing1.09Å1.10Å
C26H58sing1.09Å1.10Å
C26H59sing1.09Å1.10Å
C27H61sing1.09Å1.10Å
C27H60sing1.09Å1.10Å
C31H64sing1.08Å1.08Å
C38H68sing1.08Å1.08Å
N6H40sing0.97Å1.00Å
C9H45sing1.09Å1.10Å
C9H44sing1.09Å1.10Å
C17H51sing1.08Å1.08Å
C29H62sing1.08Å1.08Å
C30H63sing1.08Å1.08Å
C32H65sing1.08Å1.08Å
C34H67sing1.09Å1.10Å
C34H66sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11O10C9109.7°114.1°
O10C11C12111.0°109.4°
O10C11H46109.1°109.5°
O10C11H47109.1°109.5°
O10C9C8111.4°109.4°
O10C9H45109.0°109.5°
O10C9H44109.0°109.5°
C11C12C7111.6°109.1°
C12C11H46109.1°109.5°
C12C11H47109.1°109.5°
C11C12H49108.9°109.5°
C11C12H48108.9°109.6°
C12C7C8110.4°109.1°
C12C7N6110.5°109.6°
C12C7H41108.1°109.5°
C7C12H49108.9°109.5°
C7C12H48108.9°109.5°
C9C8C7111.3°109.2°
C9C8H42109.0°109.5°
C9C8H43109.0°109.6°
C8C9H45109.0°109.5°
C8C9H44109.0°109.5°
C8C7N6110.5°109.5°
C8C7H41108.1°109.6°
C7C8H42109.0°109.5°
C7C8H43109.0°109.6°
C7N6C5126.4°120.0°
N6C7H41109.1°109.5°
C7N6H40105.1°120.0°
N6C5N13117.3°119.1°
N6C5N4116.4°119.2°
C5N6H40105.1°120.0°
N13C5N4126.4°121.7°
C5N13C14117.8°120.6°
C5N4C3115.6°121.0°
N13C14C15115.5°120.5°
N13C14C2119.4°119.0°
N4C3C2121.3°119.2°
N4C3H39119.4°120.4°
C15C14C2124.9°120.5°
C14C15C38122.5°120.0°
C14C15C16118.8°120.0°
C14C2C3119.6°118.4°
C14C2CL1121.2°120.8°
C3C2CL1119.2°120.8°
C2C3H39119.3°120.4°
C38C15C16118.3°120.1°
C15C38C37119.8°119.7°
C15C38H68120.1°120.2°
C15C16C17121.1°120.0°
C15C16H50119.5°120.0°
C38C37C35131.0°132.3°
C38C37C18121.0°119.5°
C37C38H68120.1°120.1°
C16C17C18120.3°120.1°
C17C16H50119.5°120.0°
C16C17H51119.9°119.9°
O36C35C37128.8°124.8°
O36C35N20124.8°124.8°
C35C37C18108.0°108.2°
C37C35N20106.4°110.3°
C37C18C17119.5°120.5°
C37C18C19110.1°106.4°
C35N20C19113.6°108.8°
C35N20C21123.2°125.7°
C17C18C19130.3°133.0°
C18C17H51119.8°120.0°
C18C19N20101.7°106.3°
C18C19H53111.4°110.1°
C18C19H52111.4°110.1°
C19N20C21122.0°125.6°
N20C19H53111.4°110.1°
N20C19H52111.4°110.2°
N20C21C22111.2°109.4°
N20C21H54109.0°109.4°
N20C21H55109.1°109.5°
C21C22N24118.5°120.0°
C21C22O23119.9°120.1°
C22C21H54109.0°109.4°
C22C21H55109.0°109.5°
C31C32C33120.7°119.7°
C32C31C30120.2°119.9°
C32C31H64119.9°120.0°
C31C32H65119.6°120.1°
C32C33C34119.5°120.3°
C32C33C28119.0°120.5°
C33C32H65119.7°120.2°
C33C34N24115.3°108.6°
C34C33C28121.5°119.2°
C33C34H67108.0°109.6°
C33C34H66108.0°109.7°
C34N24C22122.8°119.6°
C34N24C25116.5°120.7°
N24C34H67108.0°109.6°
N24C34H66108.0°109.6°
C31C30C29120.0°120.2°
C30C31H64119.9°120.0°
C31C30H63120.0°120.0°
N24C22O23121.6°120.0°
C22N24C25120.4°119.7°
C33C28C29119.6°119.9°
C33C28C27121.9°120.1°
N24C25C26111.4°112.1°
N24C25H57109.0°109.0°
N24C25H56109.0°108.8°
C30C29C28120.5°119.8°
C30C29H62119.8°120.1°
C29C30H63120.0°119.8°
C29C28C27118.5°119.9°
C28C29H62119.7°120.1°
C28C27C26115.1°108.8°
C28C27H61108.1°109.6°
C28C27H60108.0°109.7°
C25C26C27113.9°110.3°
C26C25H57109.0°108.9°
C26C25H56109.0°109.0°
C25C26H58108.4°109.3°
C25C26H59108.4°109.4°
C27C26H58108.4°109.3°
C27C26H59108.4°109.2°
C26C27H61108.0°109.6°
C26C27H60108.0°109.6°
H42C8H43109.5°109.5°
H46C11H47109.5°109.4°
H49C12H48109.5°109.6°
H53C19H52109.5°110.1°
H54C21H55109.5°109.5°
H57C25H56109.5°108.9°
H58C26H59109.5°109.3°
H61C27H60109.5°109.6°
H45C9H44109.5°109.5°
H67C34H66109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O10C11C12H46120.2°120.0°
O10C11C12H47120.2°120.0°
O10C11C12C756.7°57.6°
C11O10C9C862.7°61.2°
O10C11H46H47119.3°120.0°
O10C11C12H49177.0°62.3°
O10C11C12H4863.6°177.4°
C11O10C9H45177.1°58.8°
C11O10C9H4457.6°178.8°
C9O10C11C1262.8°61.2°
O10C9C8H45120.3°120.0°
O10C9C8H44120.3°120.0°
O10C9C8C755.9°57.6°
O10C9C8H4264.3°177.5°
O10C9C8H43176.2°62.3°
C9O10C11H4657.4°178.8°
C9O10C11H47176.9°58.8°
O10C9H45H44119.1°120.0°
C11C12C7H49120.3°119.9°
C11C12C7H48120.3°119.9°
C11C12C7C849.1°56.9°
C11C12C7N6171.7°176.9°
C11C12C7H4168.9°63.0°
C12C11H46H47119.3°120.0°
C11C12H49H48119.0°120.3°
C12C7C8C948.6°57.0°
C12C7C8N6122.6°119.9°
C12C7C8H41118.1°119.9°
C12C7N6H41118.8°120.1°
C12C7N6C592.5°85.2°
C12C7C8H4271.7°176.8°
C12C7C8H43168.9°63.0°
C7C12C11H4663.5°177.6°
C7C12C11H47176.9°62.4°
C7C12H49H48119.1°120.1°
C12C7N6H4029.8°94.8°
C9C8C7H42120.3°119.9°
C9C8C7H43120.3°120.0°
C9C8C7N6171.2°176.9°
C9C8C7H4169.5°63.0°
C9C8H42H43119.2°120.2°
C8C9H45H44119.1°120.1°
C8C7N6H41118.7°120.2°
C8C7N6C5145.0°155.2°
C7C8H42H43119.2°120.2°
C8C7C12H49169.4°63.0°
C8C7C12H4871.2°176.9°
C8C7N6H4092.8°24.9°
C7C8C9H45176.2°62.4°
C7C8C9H4464.4°177.6°
C7N6C5H40122.3°180.0°
C7N6C5N132.0°180.0°
C7N6C5N4178.3°0.3°
N6C7C8H4250.9°63.2°
N6C7C8H4368.5°56.9°
N6C7C12H4968.0°57.0°
N6C7C12H4851.4°63.2°
N6C5N13N4179.7°179.6°
N6C5N13C14179.2°180.0°
N6C5N4C3179.5°179.7°
C5N6C7H4126.3°35.0°
N13C5N4C30.2°0.1°
C5N13C14C15176.7°179.7°
C5N13C14C21.9°0.6°
N13C5N6H40124.3°0.0°
N4C5N13C141.1°0.4°
C5N4C3C20.5°0.0°
C5N4C3H39179.5°180.0°
N4C5N6H4056.0°179.6°
N13C14C15C2174.5°179.7°
N13C14C2C31.6°0.6°
N13C14C15C38141.8°34.7°
N13C14C15C1644.5°145.6°
N13C14C2CL1178.1°179.7°
N4C3C2C140.3°0.3°
N4C3C2H39180.0°180.0°
N4C3C2CL1179.4°180.0°
C15C14C2C3175.8°179.8°
C14C15C38C16173.7°179.7°
C14C15C38C37176.3°180.0°
C15C14C2CL13.9°0.0°
C14C15C16C17177.8°180.0°
C14C15C16H502.2°0.0°
C14C15C38H683.7°0.0°
C14C2C3CL1179.7°179.7°
C2C14C15C3843.7°145.0°
C2C14C15C16129.9°34.7°
C14C2C3H39179.7°179.7°
C15C38C37H68180.0°180.0°
C38C15C16C173.9°0.2°
C15C38C37C35179.3°179.7°
C15C38C37C181.3°0.0°
C38C15C16H50176.1°179.8°
C16C15C38C372.6°0.3°
C15C16C17H50180.0°180.0°
C15C16C17C183.7°0.0°
C16C15C38H68177.4°179.7°
C15C16C17H51176.3°180.0°
C38C37C35O363.5°0.3°
C38C37C35C18179.5°179.7°
C38C37C35N20176.6°179.8°
C38C37C18C171.0°0.3°
C38C37C18C19179.0°179.9°
CL1C2C3H390.6°0.0°
C16C17C18C372.2°0.3°
C16C17C18H51180.0°179.9°
C16C17C18C19179.7°179.8°
O36C35C37N20179.9°179.4°
O36C35C37C18175.9°180.0°
O36C35N20C19174.8°179.9°
O36C35N20C217.3°0.5°
C35C37C18C17179.5°180.0°
C35C37C18C191.5°0.3°
C37C35N20C195.1°0.5°
C37C35N20C21172.7°180.0°
C35C37C38H680.7°0.3°
C18C37C35N204.0°0.5°
C37C18C17C19177.5°179.5°
C37C18C19N201.3°0.1°
C37C18C19H53117.4°119.2°
C37C18C19H52120.0°119.2°
C18C37C38H68178.7°180.0°
C37C18C17H51177.8°179.7°
C35N20C19C184.1°0.3°
C35N20C19C21167.7°179.6°
C35N20C21C2276.4°90.0°
C35N20C19H53114.7°118.9°
C35N20C19H52122.8°119.6°
C35N20C21H54163.3°30.0°
C35N20C21H5543.8°150.0°
C17C18C19N20176.3°179.6°
C18C17C16H50176.3°180.0°
C17C18C19H5364.9°61.2°
C17C18C19H5257.6°60.3°
C18C19N20H53118.8°119.2°
C18C19N20H52118.7°119.3°
C18C19N20C21171.8°179.8°
C18C19H53H52123.6°121.6°
C19C18C17H510.3°0.2°
C19N20C21C2290.1°89.5°
N20C19H53H52123.6°121.6°
C19N20C21H5430.1°150.6°
C19N20C21H55149.6°30.5°
N20C21C22H54120.3°119.9°
N20C21C22H55120.3°120.0°
N20C21C22N24178.6°180.0°
N20C21C22O231.8°0.0°
C21N20C19H5353.0°60.7°
C21N20C19H5269.5°60.9°
N20C21H54H55119.2°120.0°
C21C22N24C342.8°0.0°
C21C22N24O23179.6°180.0°
C21C22N24C25170.7°180.0°
C22C21H54H55119.2°120.0°
C31C32C33H65180.0°179.9°
C31C32C33C34178.9°178.1°
C32C31C30H64180.0°179.9°
C31C32C33C281.5°0.8°
C32C31C30C290.6°0.4°
C32C31C30H63179.4°179.5°
C32C33C34C28177.3°178.9°
C32C33C34N24123.4°113.6°
C33C32C31C301.3°0.1°
C32C33C28C291.1°1.0°
C32C33C28C27178.7°178.5°
C33C32C31H64178.7°179.8°
C32C33C34H67115.8°126.7°
C32C33C34H662.5°6.1°
C33C34N24H67120.8°119.7°
C33C34N24H66120.9°119.8°
C33C34N24C22105.8°97.0°
C33C34N24C2580.5°83.0°
C34C33C28C29178.4°177.9°
C34C33C28C271.4°2.6°
C34C33C32H651.1°2.0°
C33C34H67H66117.4°120.5°
C34N24C22C25173.5°180.0°
C34N24C22O23177.6°180.0°
N24C34C33C2859.3°67.5°
C34N24C25C2670.4°64.3°
C34N24C25H5749.9°56.4°
C34N24C25H56169.3°175.1°
N24C34H67H66117.4°120.4°
C31C30C29H63180.0°179.9°
C31C30C29C280.1°0.3°
C31C30C29H62179.9°179.7°
C30C31C32H65178.7°179.8°
C22N24C25C26115.7°115.7°
N24C22C21H5458.3°60.0°
N24C22C21H5561.2°60.0°
C22N24C25H57124.0°123.6°
C22N24C25H564.6°4.9°
C22N24C34H67133.4°143.3°
C22N24C34H6615.0°22.8°
O23C22N24C258.9°0.0°
O23C22C21H54122.1°120.0°
O23C22C21H55118.5°120.0°
C33C28C29C300.4°0.4°
C33C28C29C27179.7°179.4°
C33C28C27C2658.0°70.4°
C33C28C27H61178.8°169.7°
C33C28C27H6062.8°49.4°
C33C28C29H62179.6°179.6°
C28C33C32H65178.5°179.1°
C28C33C34H6761.5°52.2°
C28C33C34H66179.8°172.8°
N24C25C26H57120.3°120.7°
N24C25C26H56120.3°120.6°
N24C25C26C2769.5°63.4°
N24C25H57H56119.1°118.6°
N24C25C26H58169.8°56.8°
N24C25C26H5951.2°176.4°
C25N24C34H6740.4°36.7°
C25N24C34H66158.7°157.2°
C30C29C28H62180.0°180.0°
C30C29C28C27179.4°179.0°
C29C30C31H64179.4°179.7°
C29C28C27C26122.3°109.0°
C29C28C27H611.4°10.8°
C29C28C27H60116.9°131.2°
C28C29C30H63179.9°179.7°
C28C27C26C2579.8°87.6°
C28C27C26H61120.8°119.8°
C28C27C26H60120.8°119.9°
C28C27C26H58159.6°32.7°
C28C27C26H5940.9°152.2°
C28C27H61H60117.4°120.4°
C27C28C29H620.6°1.0°
C25C26C27H58120.7°120.3°
C25C26C27H59120.7°120.2°
C26C25H57H56119.1°118.7°
C25C26H58H59118.0°119.7°
C25C26C27H61159.4°152.6°
C25C26C27H6041.1°32.3°
C27C26C25H5750.8°57.3°
C27C26C25H56170.2°176.0°
C27C26H58H59118.0°119.5°
C26C27H61H60117.4°120.3°
H41C7C8H42170.3°56.9°
H41C7C8H4350.8°177.1°
H41C7C12H4951.4°177.1°
H41C7C12H48170.8°56.9°
H41C7N6H40148.5°145.1°
H42C8C9H4556.0°57.5°
H42C8C9H44175.4°62.5°
H43C8C9H4563.5°177.7°
H43C8C9H4455.9°57.6°
H46C11C12H4956.8°57.7°
H46C11C12H48176.2°62.5°
H47C11C12H4962.7°177.7°
H47C11C12H4856.6°57.5°
H50C16C17H513.7°0.0°
H57C25C26H5869.9°177.5°
H57C25C26H59171.4°62.8°
H56C25C26H5849.5°63.8°
H56C25C26H5969.2°55.9°
H58C26C27H6138.7°87.1°
H58C26C27H6079.6°152.6°
H59C26C27H6180.0°32.4°
H59C26C27H60161.7°87.9°
H64C31C30H630.5°0.4°
H64C31C32H651.3°0.3°
H62C29C30H630.1°0.3°

225946

PDB entries from 2024-10-09

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