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A1A1Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N14C12sing1.35Å1.33Å
C12C11sing1.51Å1.51Å
C12O13doub1.21Å1.23Å
C11C2sing1.53Å1.52Å
C2C3sing1.51Å1.51Å
C2N1sing1.47Å1.46Å
CL6C5sing1.74Å1.72Å
C4C5doub1.38Å1.38ÅAromatic
C4C3sing1.38Å1.38ÅAromatic
C5C7sing1.39Å1.38ÅAromatic
C3C10doub1.38Å1.39ÅAromatic
N1C15sing1.35Å1.35Å
F8C7sing1.35Å1.35Å
C7C9doub1.38Å1.37ÅAromatic
C10C9sing1.38Å1.38ÅAromatic
C39N38sing1.34Å1.36ÅAromatic
C39C17doub1.38Å1.38ÅAromatic
N38C27sing1.38Å1.37ÅAromatic
C15C17sing1.47Å1.50Å
C15O16doub1.22Å1.23Å
C17C18sing1.47Å1.45ÅAromatic
C34C33sing1.53Å1.51Å
C34C35sing1.53Å1.50Å
C27C18doub1.39Å1.38ÅAromatic
C27C28sing1.41Å1.43Å
C33N32sing1.47Å1.47Å
C18C19sing1.48Å1.48Å
F26C25sing1.35Å1.33Å
C29C28doub1.36Å1.33Å
C29C30sing1.41Å1.48Å
C35C36sing1.53Å1.50Å
N32C30sing1.35Å1.36Å
N32C37sing1.47Å1.47Å
C19C25doub1.40Å1.38ÅAromatic
C19C20sing1.40Å1.39ÅAromatic
C25C24sing1.38Å1.37ÅAromatic
C30O31doub1.22Å1.23Å
C36C37sing1.54Å1.51Å
C24C22doub1.38Å1.37ÅAromatic
C20C21doub1.38Å1.38ÅAromatic
C22C21sing1.39Å1.38ÅAromatic
C22CL23sing1.74Å1.74Å
N1H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C10H3sing1.08Å1.08Å
C20H4sing1.08Å1.08Å
C21H5sing1.08Å1.08Å
C24H6sing1.08Å1.08Å
C28H7sing1.08Å1.08Å
C2H8sing1.09Å1.10Å
C9H9sing1.08Å1.08Å
C11H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
N14H12sing0.97Å1.00Å
N14H13sing0.97Å1.00Å
C29H14sing1.08Å1.08Å
C33H15sing1.09Å1.10Å
C33H16sing1.09Å1.10Å
C34H17sing1.09Å1.10Å
C34H18sing1.09Å1.10Å
C35H19sing1.09Å1.10Å
C35H20sing1.09Å1.10Å
C36H21sing1.09Å1.10Å
C36H22sing1.09Å1.10Å
C37H23sing1.09Å1.10Å
C37H24sing1.09Å1.10Å
N38H25sing0.97Å1.00Å
C39H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N14C12C11116.3°120.0°
N14C12O13123.3°120.0°
C12N14H12120.0°120.0°
C12N14H13120.0°120.0°
C11C12O13120.3°120.0°
C12C11C2111.1°109.4°
C12C11H10109.1°109.5°
C12C11H11109.0°109.5°
C11C2C3109.0°109.5°
C11C2N1109.2°109.4°
C11C2H8107.9°109.4°
C2C11H10109.0°109.5°
C2C11H11109.1°109.5°
C3C2N1113.9°109.5°
C2C3C4120.1°119.9°
C2C3C10120.9°120.0°
C3C2H8108.0°109.5°
C2N1C15121.6°120.0°
C2N1H1119.2°120.0°
N1C2H8108.7°109.5°
CL6C5C4119.8°120.1°
CL6C5C7120.3°120.0°
C5C4C3120.2°120.0°
C4C5C7119.9°119.9°
C5C4H2119.9°120.0°
C4C3C10118.8°120.1°
C3C4H2119.9°120.0°
C5C7F8119.2°120.0°
C5C7C9121.2°120.0°
C3C10C9121.1°120.0°
C3C10H3119.4°120.0°
N1C15C17117.2°120.0°
N1C15O16122.1°120.0°
C15N1H1119.2°120.0°
F8C7C9119.4°120.0°
C7C9C10118.7°120.0°
C7C9H9120.6°120.0°
C9C10H3119.5°120.0°
C10C9H9120.6°120.0°
N38C39C17108.9°109.3°
C39N38C27110.0°110.5°
C39N38H25125.0°124.7°
N38C39H26125.5°125.4°
C39C17C15127.0°126.8°
C39C17C18106.3°106.4°
C17C39H26125.6°125.4°
N38C27C18108.1°108.1°
N38C27C28121.0°125.9°
C27N38H25125.0°124.8°
C17C15O16120.7°120.0°
C15C17C18126.6°126.8°
C17C18C27106.7°105.8°
C17C18C19127.5°127.1°
C33C34C35110.8°109.3°
C34C33N32113.6°108.8°
C34C33H15108.4°109.6°
C34C33H16108.4°109.7°
C33C34H17109.2°109.5°
C33C34H18109.1°109.5°
C34C35C36110.0°109.5°
C35C34H17109.1°109.5°
C35C34H18109.1°109.5°
C34C35H19109.4°109.4°
C34C35H20109.3°109.5°
C18C27C28130.9°126.0°
C27C18C19125.8°127.1°
C27C28C29126.1°120.0°
C27C28H7117.0°120.0°
C33N32C30123.5°120.6°
C33N32C37113.6°118.8°
N32C33H15108.4°109.7°
N32C33H16108.4°109.5°
C18C19C25122.1°120.1°
C18C19C20120.5°120.2°
F26C25C19119.0°120.1°
F26C25C24117.7°120.1°
C28C29C30122.1°120.0°
C29C28H7117.0°120.0°
C28C29H14118.9°120.0°
C29C30N32118.6°120.0°
C29C30O31119.9°120.0°
C30C29H14118.9°119.9°
C35C36C37111.1°109.2°
C36C35H19109.3°109.4°
C36C35H20109.3°109.5°
C35C36H21109.1°109.5°
C35C36H22109.1°109.5°
C30N32C37122.5°120.6°
N32C30O31121.5°120.0°
N32C37C36111.6°108.6°
N32C37H23108.9°109.6°
N32C37H24108.9°109.6°
C25C19C20117.5°119.8°
C19C25C24123.3°119.7°
C19C20C21120.7°119.9°
C19C20H4119.7°120.1°
C25C24C22117.3°120.1°
C25C24H6121.3°119.9°
C37C36H21109.1°109.6°
C37C36H22109.1°109.4°
C36C37H23108.9°109.7°
C36C37H24108.9°109.6°
C24C22C21122.1°120.3°
C24C22CL23118.7°119.9°
C22C24H6121.3°119.9°
C20C21C22119.0°120.2°
C21C20H4119.7°120.0°
C20C21H5120.5°119.9°
C21C22CL23119.2°119.8°
C22C21H5120.5°119.9°
H10C11H11109.5°109.5°
H12N14H13120.0°120.0°
H15C33H16109.5°109.5°
H17C34H18109.5°109.5°
H19C35H20109.5°109.5°
H21C36H22109.5°109.6°
H23C37H24109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N14C12C11O13178.0°180.0°
N14C12C11C2114.0°176.1°
N14C12C11H10125.7°56.0°
N14C12C11H116.2°64.0°
C12N14H12H13180.0°180.0°
C12C11C2H10120.2°120.0°
C12C11C2H11120.3°120.0°
C12C11C2C3176.1°66.8°
C12C11C2N158.9°173.2°
C12C11C2H859.1°53.2°
C12C11H10H11119.2°120.0°
C11C12N14H12177.9°0.0°
C11C12N14H132.1°180.0°
O13C12C11C264.0°3.9°
O13C12C11H1056.3°124.0°
O13C12C11H11175.8°116.0°
O13C12N14H120.0°180.0°
O13C12N14H13180.0°0.0°
C11C2C3N1122.2°120.0°
C11C2C3H8117.0°120.0°
C11C2N1H8117.5°119.9°
C11C2C3C491.6°100.1°
C11C2C3C1083.2°80.0°
C11C2N1C15145.3°89.4°
C11C2N1H134.8°90.3°
C2C11H10H11119.2°120.0°
C3C2N1H8120.4°120.1°
C2C3C4C5174.7°180.0°
C2C3C4C10174.9°179.9°
C3C2N1C1592.7°150.6°
C2C3C10C9174.4°179.9°
C3C2N1H187.3°29.7°
C2C3C4H25.3°0.3°
C2C3C10H35.5°0.1°
C3C2C11H1055.9°173.2°
C3C2C11H1163.6°53.2°
N1C2C3C430.5°140.0°
N1C2C3C10154.7°40.0°
C2N1C15H1180.0°179.7°
C2N1C15C17175.2°175.2°
C2N1C15O163.5°4.8°
N1C2C11H10179.2°53.2°
N1C2C11H1161.3°66.9°
CL6C5C4C7179.1°180.0°
CL6C5C4C3178.7°180.0°
CL6C5C7F86.0°0.0°
CL6C5C7C9178.4°180.0°
CL6C5C4H21.3°0.3°
C5C4C3H2180.0°179.7°
C5C4C3C100.2°0.0°
C4C5C7F8174.9°180.0°
C4C5C7C90.7°0.0°
C3C4C5C70.4°0.0°
C4C3C10C90.4°0.0°
C4C3C10H3179.6°180.0°
C4C3C2H8151.3°19.9°
C5C7F8C9175.7°180.0°
C5C7C9C100.5°0.0°
C7C5C4H2179.6°179.7°
C5C7C9H9179.5°180.0°
C3C10C9C70.1°0.0°
C3C10C9H3180.0°180.0°
C10C3C4H2179.8°179.7°
C10C3C2H833.8°160.0°
C3C10C9H9179.9°180.0°
N1C15C17C394.9°0.3°
N1C15C17O16178.7°180.0°
N1C15C17C18177.9°180.0°
C15N1C2H827.7°30.5°
F8C7C9C10175.1°179.9°
F8C7C9H94.9°0.1°
C7C9C10H9180.0°180.0°
C7C9C10H3179.9°180.0°
N38C39C17H26180.0°179.6°
C39N38C27H25180.0°179.7°
N38C39C17C15178.4°179.8°
N38C39C17C180.7°0.4°
C39N38C27C180.8°0.3°
C39N38C27C28180.0°179.7°
C17C39N38C271.0°0.5°
C39C17C15C18177.2°179.7°
C39C17C15O16173.7°179.7°
C39C17C18C270.3°0.2°
C39C17C18C19178.3°179.6°
C17C39N38H25179.0°179.8°
N38C27C18C170.3°0.0°
N38C27C18C28179.1°179.9°
N38C27C18C19178.9°179.9°
N38C27C28C297.3°0.0°
N38C27C28H7172.7°180.0°
C27N38C39H26179.0°180.0°
C15C17C18C27177.9°180.0°
C15C17C18C190.7°0.1°
C17C15N1H14.8°5.1°
C15C17C39H261.6°0.3°
O16C15C17C183.5°0.0°
O16C15N1H1176.6°174.9°
C17C18C27C19178.6°179.9°
C17C18C27C28179.4°180.0°
C17C18C19C2567.7°90.0°
C17C18C19C20112.9°89.4°
C18C17C39H26179.2°180.0°
C33C34C35H17120.2°120.0°
C33C34C35H18120.2°119.9°
C34C33N32H15120.6°119.8°
C34C33N32H16120.6°119.9°
C33C34C35C3655.8°61.4°
C34C33N32C30137.7°126.4°
C34C33N32C3749.6°53.8°
C34C33H15H16118.1°120.4°
C33C34H17H18119.4°120.1°
C33C34C35H1964.3°178.7°
C33C34C35H20175.9°58.7°
C35C34C33N3251.9°54.6°
C34C35C36H19120.1°120.0°
C34C35C36H20120.1°120.0°
C34C35C36C3758.2°61.5°
C35C34C33H15172.5°174.5°
C35C34C33H1668.7°65.2°
C35C34H17H18119.4°120.1°
C34C35H19H20119.7°120.0°
C34C35C36H21178.4°58.5°
C34C35C36H2262.1°178.7°
C18C27C28C29173.7°179.9°
C27C18C19C25114.0°90.1°
C27C18C19C2065.4°90.4°
C18C27C28H76.3°0.0°
C18C27N38H25179.2°180.0°
C28C27C18C191.9°0.1°
C27C28C29H7180.0°180.0°
C27C28C29C30167.6°180.0°
C27C28C29H1412.4°0.0°
C28C27N38H250.0°0.0°
C33N32C30C293.0°174.8°
C33N32C30C37172.1°179.8°
C33N32C30O31176.2°5.2°
C33N32C37C3650.7°53.9°
N32C33H15H16118.1°120.2°
N32C33C34H17172.1°65.4°
N32C33C34H1868.3°174.6°
C33N32C37H23171.0°65.9°
C33N32C37H2469.6°173.6°
C18C19C25F261.7°0.0°
C18C19C25C20179.4°179.4°
C18C19C25C24179.2°180.0°
C18C19C20C21179.3°180.0°
C18C19C20H40.7°0.3°
F26C25C19C24179.1°180.0°
F26C25C19C20178.8°179.5°
F26C25C24C22179.0°179.7°
F26C25C24H61.1°0.3°
C28C29C30H14180.0°179.9°
C28C29C30N32169.6°174.4°
C28C29C30O319.7°5.6°
C29C30N32O31179.2°180.0°
C29C30N32C37175.1°5.0°
C30C29C28H712.4°0.1°
C35C36C37N3255.3°54.9°
C35C36C37H21120.3°120.0°
C35C36C37H22120.3°119.8°
C36C35C34H17176.0°58.5°
C36C35C34H1864.4°178.6°
C36C35H19H20119.7°120.0°
C35C36H21H22119.2°120.1°
C35C36C37H23175.6°64.9°
C35C36C37H2465.0°174.6°
C30N32C37C36136.5°126.3°
N32C30C29H1410.4°5.6°
C30N32C33H1517.1°6.5°
C30N32C33H16101.7°113.7°
C30N32C37H2316.2°113.9°
C30N32C37H24103.2°6.6°
C37N32C30O314.2°175.0°
N32C37C36H23120.3°119.7°
N32C37C36H24120.3°119.7°
C37N32C33H15170.2°173.7°
C37N32C33H1671.0°66.1°
N32C37C36H21175.6°65.1°
N32C37C36H2264.9°174.7°
N32C37H23H24119.0°120.4°
C19C25C24C220.1°0.3°
C25C19C20C210.2°0.5°
C25C19C20H4179.8°179.8°
C19C25C24H6179.8°179.7°
C20C19C25C240.3°0.5°
C19C20C21H4180.0°179.7°
C19C20C21C220.0°0.3°
C19C20C21H5180.0°179.7°
C25C24C22H6180.0°180.0°
C25C24C22C210.1°0.0°
C25C24C22CL23179.0°180.0°
O31C30C29H14170.3°174.4°
C37C36C35H1961.9°178.5°
C37C36C35H20178.3°58.5°
C37C36H21H22119.2°120.1°
C36C37H23H24119.1°120.5°
C24C22C21C200.1°0.0°
C24C22C21CL23179.0°180.0°
C24C22C21H5179.9°180.0°
C20C21C22H5180.0°180.0°
C20C21C22CL23179.1°180.0°
C22C21C20H4180.0°180.0°
C21C22C24H6180.0°180.0°
CL23C22C21H50.9°0.0°
CL23C22C24H61.0°0.0°
H1N1C2H8152.3°149.8°
H3C10C9H90.1°0.0°
H4C20C21H50.0°0.1°
H7C28C29H14167.6°180.0°
H8C2C11H1061.2°66.8°
H8C2C11H11179.3°173.2°
H15C33C34H1767.3°54.5°
H15C33C34H1852.3°65.6°
H16C33C34H1751.5°174.8°
H16C33C34H18171.1°54.7°
H17C34C35H1955.9°61.4°
H17C34C35H2063.9°178.6°
H18C34C35H19175.5°58.7°
H18C34C35H2055.7°61.3°
H19C35C36H2158.3°61.4°
H19C35C36H22177.8°58.7°
H20C35C36H2161.5°178.6°
H20C35C36H2258.0°61.3°
H21C36C37H2364.1°175.1°
H21C36C37H2455.3°54.6°
H22C36C37H2355.4°55.0°
H22C36C37H24174.8°65.6°
H25N38C39H261.0°0.2°

251801

PDB entries from 2026-04-08

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