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A1JCP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C32C33sing1.53Å1.53Å
C32N31sing1.46Å1.50Å
N36C35trip1.14Å1.10Å
O34C30doub1.22Å1.23Å
N31C30sing1.33Å1.36Å
N31C10sing1.36Å1.36Å
C35C9sing1.43Å1.42Å
C30C12sing1.41Å1.35Å
C10C9doub1.38Å1.35Å
C10S11sing1.77Å1.71Å
C9C7sing1.47Å1.55Å
C12C13sing1.39Å1.34Å
C12S11doub1.56Å1.68Å
C13N14doub1.32Å1.36Å
F1C2sing1.40Å1.31Å
N6C7sing1.35Å1.35Å
N6C5sing1.46Å1.47Å
C7O8doub1.22Å1.23Å
F3C2sing1.40Å1.37Å
C20C19doub1.38Å1.39ÅAromatic
C20C15sing1.41Å1.40ÅAromatic
C2C5sing1.53Å1.53Å
C2F4sing1.40Å1.32Å
N14C15sing1.35Å1.35Å
C19N18sing1.32Å1.40ÅAromatic
C15C16doub1.41Å1.40ÅAromatic
N18C17doub1.33Å1.35ÅAromatic
C16C17sing1.39Å1.41ÅAromatic
C17N21sing1.39Å1.36Å
N21C22sing1.47Å1.48Å
N21C29sing1.46Å1.48Å
C22C23sing1.53Å1.53Å
C22C27sing1.53Å1.53Å
C23C24sing1.53Å1.53Å
C24N25sing1.47Å1.48Å
C27C26sing1.53Å1.53Å
C26N25sing1.47Å1.48Å
N25C28sing1.47Å1.48Å
C5H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C13H3sing1.08Å1.08Å
C20H4sing1.08Å1.08Å
C22H5sing1.09Å1.10Å
C24H6sing1.09Å1.10Å
C24H7sing1.09Å1.10Å
C26H8sing1.09Å1.10Å
C26H9sing1.09Å1.10Å
C28H10sing1.09Å1.10Å
C28H11sing1.09Å1.10Å
C28H12sing1.09Å1.10Å
N6H13sing0.97Å1.00Å
C32H14sing1.09Å1.10Å
C32H15sing1.09Å1.10Å
C33H16sing1.09Å1.10Å
C33H17sing1.09Å1.10Å
C33H18sing1.09Å1.10Å
C16H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C29H21sing1.09Å1.10Å
C29H22sing1.09Å1.10Å
C29H23sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H28sing1.09Å1.10Å
S11H29sing1.34Å1.30Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C33C32N31110.8°109.5°
C33C32H14109.2°109.5°
C33C32H15109.1°109.5°
C32C33H16109.5°109.5°
C32C33H17109.5°109.4°
C32C33H18109.5°109.4°
C32N31C30116.7°123.1°
C32N31C10130.3°123.0°
N31C32H14109.1°109.5°
N31C32H15109.1°109.5°
N36C35C9177.9°179.9°
O34C30N31121.4°121.6°
O34C30C12122.9°121.6°
C30N31C10113.0°113.9°
N31C30C12115.8°116.8°
N31C10C9128.0°127.9°
N31C10S11108.7°104.3°
C35C9C10120.8°120.0°
C35C9C7117.4°120.0°
C30C12C13126.2°126.5°
C30C12S11108.6°107.1°
C9C10S11123.3°127.8°
C10C9C7121.1°120.1°
C10S11C1294.0°97.7°
C10S11H29113.2°103.0°
C9C7N6114.9°120.0°
C9C7O8121.6°120.0°
C13C12S11125.2°126.4°
C12C13N14121.4°120.0°
C12C13H3119.3°120.0°
C12S11H29113.2°103.0°
C13N14C15118.8°120.0°
N14C13H3119.3°120.1°
F1C2F3109.9°109.5°
F1C2C5109.4°109.4°
F1C2F4109.1°109.5°
C7N6C5122.5°120.0°
N6C7O8123.4°120.0°
C7N6H13118.7°120.0°
N6C5C2112.6°109.5°
N6C5H1108.7°109.5°
N6C5H2108.7°109.5°
C5N6H13118.8°120.0°
F3C2C5110.9°109.4°
F3C2F4109.8°109.5°
C19C20C15119.4°119.0°
C20C19N18120.4°121.1°
C19C20H4120.3°120.5°
C20C19H20119.8°119.4°
C20C15N14122.7°121.0°
C20C15C16118.4°118.0°
C15C20H4120.3°120.4°
C5C2F4107.5°109.5°
C2C5H1108.7°109.5°
C2C5H2108.7°109.5°
N14C15C16118.9°121.0°
C19N18C17121.5°122.2°
N18C19H20119.8°119.5°
C15C16C17122.1°118.8°
C15C16H19118.9°120.6°
N18C17C16118.1°120.8°
N18C17N21118.3°119.6°
C16C17N21123.6°119.6°
C17C16H19118.9°120.6°
C17N21C22121.7°120.0°
C17N21C29119.1°120.0°
C22N21C29119.2°120.0°
N21C22C23111.4°109.5°
N21C22C27110.5°109.5°
N21C22H5109.1°109.6°
N21C29H21109.5°109.5°
N21C29H22109.5°109.4°
N21C29H23109.5°109.5°
C23C22C27108.8°109.1°
C22C23C24108.5°109.3°
C23C22H5108.5°109.6°
C22C23H24109.7°109.5°
C22C23H25109.7°109.5°
C22C27C26109.7°109.3°
C27C22H5108.5°109.5°
C22C27H27109.4°109.5°
C22C27H28109.4°109.5°
C23C24N25110.5°109.5°
C23C24H6109.2°109.5°
C23C24H7109.2°109.5°
C24C23H24109.7°109.5°
C24C23H25109.7°109.5°
C24N25C26110.5°111.1°
C24N25C28110.6°111.0°
N25C24H6109.2°109.4°
N25C24H7109.2°109.5°
C27C26N25111.8°109.5°
C27C26H8108.9°109.4°
C27C26H9108.9°109.5°
C26C27H27109.4°109.5°
C26C27H28109.4°109.5°
C26N25C28110.9°111.0°
N25C26H8108.9°109.5°
N25C26H9108.9°109.5°
N25C28H10109.5°109.5°
N25C28H11109.5°109.5°
N25C28H12109.5°109.4°
H1C5H2109.5°109.5°
H6C24H7109.4°109.5°
H8C26H9109.5°109.4°
H10C28H11109.5°109.4°
H10C28H12109.5°109.5°
H11C28H12109.4°109.5°
H14C32H15109.5°109.4°
H16C33H17109.5°109.5°
H16C33H18109.5°109.5°
H17C33H18109.4°109.5°
H21C29H22109.4°109.5°
H21C29H23109.5°109.5°
H22C29H23109.5°109.5°
H24C23H25109.5°109.5°
H27C27H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C33C32N31H14120.2°120.0°
C33C32N31H15120.2°120.1°
C33C32N31C3098.1°95.3°
C33C32N31C1082.4°84.5°
C33C32H14H15119.4°120.0°
C32C33H16H17120.0°120.0°
C32C33H16H18120.0°120.0°
C32C33H17H18120.0°119.9°
C32N31C30O340.2°0.2°
C32N31C30C10179.6°179.8°
C32N31C30C12179.1°179.9°
C32N31C10C92.9°0.3°
C32N31C10S11179.6°180.0°
N31C32H14H15119.4°120.0°
N31C32C33H16180.0°180.0°
N31C32C33H1760.0°60.0°
N31C32C33H1860.0°60.0°
N36C35C9C10141.1°91.9°
N36C35C9C747.5°88.1°
O34C30N31C12179.3°179.9°
O34C30N31C10179.5°179.9°
O34C30C12C132.6°0.1°
O34C30C12S11179.7°179.8°
C30N31C10C9177.6°180.0°
C30N31C10S110.8°0.3°
N31C30C12C13178.1°180.0°
N31C30C12S111.1°0.1°
C30N31C32H14141.7°24.8°
C30N31C32H1522.1°144.7°
N31C10C9C354.4°6.5°
C10N31C30C121.3°0.2°
N31C10C9S11176.3°179.6°
N31C10C9C7175.5°173.6°
N31C10S11C120.2°0.3°
C10N31C32H1437.9°155.5°
C10N31C32H15157.4°35.6°
N31C10S11H29117.1°105.6°
C35C9C10C7171.1°179.9°
C35C9C10S11171.9°173.9°
C35C9C7N64.6°0.0°
C35C9C7O8179.2°179.9°
C30C12S11C100.5°0.2°
C30C12C13S11176.6°179.9°
C30C12C13N14156.4°180.0°
C30C12C13H323.5°0.0°
C30C12S11H29117.8°105.5°
C9C10S11C12177.1°180.0°
C10C9C7N6176.0°179.9°
C10C9C7O87.8°0.0°
C9C10S11H2959.8°74.7°
S11C10C9C70.8°6.0°
C10S11C12C13177.6°179.9°
C10S11C12H29117.3°105.3°
C9C7N6O8176.2°179.9°
C9C7N6C5179.0°180.0°
C9C7N6H131.0°0.1°
C12C13N14H3180.0°180.0°
C12C13N14C15175.1°180.0°
C13C12S11H2965.1°74.5°
S11C12C13N1427.0°0.1°
S11C12C13H3153.1°179.9°
C13N14C15C2044.2°45.3°
C13N14C15C16135.1°135.0°
F1C2C5N667.9°59.9°
F1C2F3C5121.2°120.0°
F1C2F3F4120.1°120.1°
F1C2C5F4118.4°120.0°
F1C2C5H1171.7°60.0°
F1C2C5H252.6°180.0°
C7N6C5H13180.0°179.9°
C7N6C5C290.7°180.0°
C7N6C5H129.8°60.1°
C7N6C5H2148.8°59.9°
C5N6C7O82.9°0.1°
N6C5C2F353.6°60.0°
N6C5C2H1120.4°120.0°
N6C5C2H2120.4°120.0°
N6C5C2F4173.7°180.0°
N6C5H1H2118.5°120.0°
O8C7N6H13177.2°180.0°
F3C2C5F4120.1°120.0°
F3C2C5H166.8°180.0°
F3C2C5H2174.1°60.0°
C19C20C15H4180.0°180.0°
C19C20C15N14179.5°179.7°
C20C19N18H20180.0°179.9°
C19C20C15C160.1°0.0°
C20C19N18C170.4°0.0°
C20C15N14C16179.4°179.7°
C15C20C19N180.2°0.1°
C20C15C16C170.2°0.0°
C20C15C16H19179.8°180.0°
C15C20C19H20179.8°180.0°
C2C5H1H2118.6°120.0°
C2C5N6H1389.3°0.0°
F4C2C5H153.3°60.0°
F4C2C5H265.8°60.0°
N14C15C16C17179.6°179.7°
C15N14C13H34.9°0.0°
N14C15C20H40.5°0.3°
N14C15C16H190.4°0.3°
C19N18C17C160.2°0.0°
C19N18C17N21179.9°180.0°
N18C19C20H4179.8°180.0°
C15C16C17N180.1°0.0°
C15C16C17H19180.0°180.0°
C15C16C17N21179.6°180.0°
C16C15C20H4179.9°180.0°
N18C17C16N21179.7°180.0°
N18C17N21C2226.2°169.2°
N18C17N21C29152.3°10.7°
N18C17C16H19179.9°180.0°
C17N18C19H20179.7°180.0°
C16C17N21C22154.1°10.8°
C16C17N21C2927.4°169.2°
C17N21C22C29178.4°180.0°
C17N21C22C23137.6°114.8°
C17N21C22C27101.4°125.6°
C17N21C22H517.8°5.4°
N21C17C16H190.4°0.0°
C17N21C29H21180.0°90.0°
C17N21C29H2260.0°150.0°
C17N21C29H2360.0°30.0°
N21C22C23C27122.0°119.9°
N21C22C23H5120.1°120.2°
N21C22C27H5119.6°120.2°
N21C22C23C24178.2°177.6°
N21C22C27C26179.6°177.5°
C22N21C29H211.5°90.0°
C22N21C29H22118.5°30.0°
C22N21C29H23121.5°150.0°
N21C22C23H2462.0°57.6°
N21C22C23H2558.3°62.5°
N21C22C27H2760.4°62.6°
N21C22C27H2859.6°57.5°
C29N21C22C2344.0°65.3°
C29N21C22C2777.1°54.4°
C29N21C22H5163.7°174.6°
N21C29H21H22120.0°120.0°
N21C29H21H23120.0°120.0°
N21C29H22H23120.0°120.0°
C23C22C27H5117.9°119.9°
C22C23C24H24119.8°120.0°
C22C23C24H25119.9°119.9°
C22C23C24N2561.6°59.2°
C23C22C27C2657.1°57.7°
C22C23C24H6178.2°179.2°
C22C23C24H758.5°60.8°
C22C23H24H25120.4°120.1°
C23C22C27H27177.1°177.6°
C23C22C27H2862.9°62.3°
C27C22C23C2459.8°57.7°
C22C27C26H27120.0°119.9°
C22C27C26H28120.0°120.0°
C22C27C26N2556.1°59.2°
C22C27C26H864.3°179.2°
C22C27C26H9176.4°60.8°
C27C22C23H2460.0°62.2°
C27C22C23H25179.7°177.6°
C22C27H27H28119.9°120.1°
C23C24N25H6120.2°120.0°
C23C24N25H7120.2°120.1°
C23C24N25C2660.1°61.8°
C23C24N25C28176.7°174.2°
C24C23C22H558.0°62.2°
C23C24H6H7119.5°120.0°
C24C23H24H25120.4°120.0°
C24N25C26C2757.3°61.8°
C24N25C26C28123.0°124.1°
N25C24H6H7119.5°120.0°
C24N25C26H863.1°178.2°
C24N25C26H9177.6°58.3°
C24N25C28H10180.0°59.9°
C24N25C28H1160.0°180.0°
C24N25C28H1260.0°60.1°
N25C24C23H2458.2°60.7°
N25C24C23H25178.5°179.2°
C27C26N25H8120.4°120.0°
C27C26N25H9120.3°120.1°
C27C26N25C28179.7°174.1°
C26C27C22H560.8°62.2°
C27C26H8H9118.9°120.0°
C26C27H27H28119.9°120.1°
C26N25C24H6179.8°178.2°
C26N25C24H760.1°58.3°
N25C26H8H9118.9°120.0°
C26N25C28H1057.0°64.2°
C26N25C28H11177.1°55.8°
C26N25C28H1263.0°175.8°
N25C26C27H27176.1°179.1°
N25C26C27H2864.0°60.8°
C28N25C24H656.6°54.2°
C28N25C24H763.1°65.8°
C28N25C26H859.9°54.2°
C28N25C26H959.4°65.8°
N25C28H10H11120.0°120.0°
N25C28H10H12120.0°120.0°
N25C28H11H12120.0°120.0°
H1C5N6H13150.2°120.0°
H2C5N6H1331.2°120.0°
H4C20C19H200.1°0.0°
H5C22C23H24177.9°177.8°
H5C22C23H2561.8°57.7°
H5C22C27H2759.2°57.7°
H5C22C27H28179.2°177.8°
H6C24C23H2462.0°59.2°
H6C24C23H2558.3°60.9°
H7C24C23H24178.4°179.2°
H7C24C23H2561.3°59.1°
H8C26C27H2755.7°60.9°
H8C26C27H28175.7°59.2°
H9C26C27H2763.6°59.0°
H9C26C27H2856.4°179.2°
H10C28H11H12119.9°120.0°
H14C32C33H1659.8°60.0°
H14C32C33H1760.2°180.0°
H14C32C33H18179.8°60.1°
H15C32C33H1659.8°59.9°
H15C32C33H17179.8°60.1°
H15C32C33H1860.2°180.0°
H16C33H17H18120.0°120.1°
H21C29H22H23120.0°120.0°

248636

PDB entries from 2026-02-04

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