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A1H6D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C15sing1.33Å1.34ÅAromatic
N2C16doub1.31Å1.33ÅAromatic
C15C14doub1.36Å1.36ÅAromatic
C16C12sing1.40Å1.41ÅAromatic
C14C13sing1.41Å1.42ÅAromatic
C12C13sing1.42Å1.42ÅAromatic
C12C11doub1.40Å1.42ÅAromatic
C13C8doub1.40Å1.43ÅAromatic
C11C10sing1.36Å1.36ÅAromatic
C8C9sing1.36Å1.37ÅAromatic
C8Ssing1.76Å1.77Å
C10C9doub1.39Å1.39ÅAromatic
O1Sdoub1.42Å1.43Å
SN1sing1.66Å1.61Å
SOdoub1.42Å1.43Å
N1C7sing1.46Å1.46Å
C6C7sing1.53Å1.51Å
C6C5sing1.53Å1.53Å
C18C17doub1.38Å1.39ÅAromatic
C18C19sing1.39Å1.39ÅAromatic
C4C5sing1.53Å1.51Å
C4Nsing1.47Å1.46Å
C17C2sing1.38Å1.39ÅAromatic
C23C22doub1.38Å1.38ÅAromatic
C23C24sing1.38Å1.38ÅAromatic
C22C21sing1.38Å1.39ÅAromatic
C24C25doub1.38Å1.39ÅAromatic
C21C20doub1.39Å1.39ÅAromatic
C25C20sing1.39Å1.40ÅAromatic
C20C19sing1.48Å1.49Å
NC3sing1.47Å1.46Å
C19Cdoub1.39Å1.40ÅAromatic
C2C3sing1.51Å1.51Å
C2C1doub1.38Å1.39ÅAromatic
CC1sing1.38Å1.38ÅAromatic
CCLsing1.74Å1.74Å
C1H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C9H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C11H6sing1.08Å1.08Å
C21H7sing1.08Å1.08Å
C23H8sing1.08Å1.08Å
C24H9sing1.08Å1.08Å
C3H10sing1.09Å1.10Å
C3H11sing1.09Å1.10Å
C4H12sing1.09Å1.10Å
C4H13sing1.09Å1.10Å
C5H14sing1.09Å1.10Å
C5H15sing1.09Å1.10Å
C6H16sing1.09Å1.10Å
C6H17sing1.09Å1.10Å
C14H18sing1.08Å1.08Å
C15H19sing1.08Å1.08Å
C16H20sing1.08Å1.08Å
N1H21sing0.97Å1.00Å
NH22sing1.01Å1.00Å
C17H24sing1.08Å1.08Å
C18H25sing1.08Å1.08Å
C25H26sing1.08Å1.08Å
C22H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15N2C16117.7°122.8°
N2C15C14124.3°121.9°
N2C15H19117.9°119.1°
N2C16C12123.9°119.9°
N2C16H20118.1°120.1°
C15C14C13119.3°118.7°
C15C14H18120.4°120.6°
C14C15H19117.8°119.0°
C16C12C13117.3°118.6°
C16C12C11123.3°122.1°
C12C16H20118.1°120.0°
C14C13C12117.5°118.2°
C14C13C8125.0°122.3°
C13C14H18120.3°120.7°
C13C12C11119.4°119.3°
C12C13C8117.5°119.5°
C12C11C10120.7°119.5°
C12C11H6119.7°120.2°
C13C8C9121.1°119.5°
C13C8S121.9°120.2°
C11C10C9120.9°121.1°
C11C10H5119.6°119.4°
C10C11H6119.7°120.3°
C9C8S117.0°120.3°
C8C9C10120.4°121.0°
C8C9H4119.8°119.5°
C8SO1110.4°106.4°
C8SN1106.0°107.3°
C8SO106.6°106.4°
C10C9H4119.8°119.5°
C9C10H5119.5°119.4°
O1SN1106.8°106.4°
O1SO118.8°123.1°
N1SO107.6°106.4°
SN1C7119.9°120.0°
SN1H21106.8°120.0°
N1C7C6112.6°109.5°
N1C7H2108.7°109.5°
N1C7H3108.7°109.5°
C7N1H21106.8°120.0°
C7C6C5113.2°109.5°
C6C7H2108.7°109.5°
C6C7H3108.7°109.4°
C7C6H16108.5°109.5°
C7C6H17108.5°109.5°
C6C5C4112.0°109.5°
C6C5H14108.9°109.5°
C6C5H15108.8°109.5°
C5C6H16108.5°109.5°
C5C6H17108.5°109.5°
C17C18C19120.8°119.9°
C18C17C2121.4°120.1°
C18C17H24119.3°119.9°
C17C18H25119.6°120.1°
C18C19C20118.7°120.1°
C18C19C117.3°119.7°
C19C18H25119.6°120.0°
C5C4N113.2°109.5°
C5C4H12108.5°109.5°
C5C4H13108.6°109.5°
C4C5H14108.8°109.5°
C4C5H15108.9°109.5°
C4NC3112.9°111.0°
NC4H12108.5°109.5°
NC4H13108.5°109.5°
C4NH22108.6°111.0°
C17C2C3121.2°119.9°
C17C2C1118.4°120.3°
C2C17H24119.3°119.9°
C22C23C24119.5°120.2°
C23C22C21120.3°120.1°
C22C23H8120.3°119.9°
C23C22H27119.8°119.9°
C23C24C25120.4°120.1°
C24C23H8120.2°119.9°
C23C24H9119.8°119.9°
C22C21C20120.9°119.9°
C22C21H7119.5°120.1°
C21C22H27119.9°120.0°
C24C25C20120.7°119.9°
C25C24H9119.8°120.0°
C24C25H26119.6°120.0°
C21C20C25118.1°119.7°
C21C20C19121.0°120.1°
C20C21H7119.6°120.0°
C25C20C19120.8°120.1°
C20C25H26119.7°120.1°
C20C19C124.0°120.1°
NC3C2113.0°109.5°
NC3H10108.6°109.4°
NC3H11108.6°109.4°
C3NH22108.6°111.0°
C19CC1121.7°119.8°
C19CCL120.7°120.1°
C3C2C1120.3°119.9°
C2C3H10108.6°109.4°
C2C3H11108.6°109.5°
C2C1C120.4°120.1°
C2C1H1119.8°120.0°
C1CCL117.4°120.1°
CC1H1119.8°119.9°
H2C7H3109.5°109.5°
H10C3H11109.5°109.6°
H12C4H13109.5°109.4°
H14C5H15109.5°109.4°
H16C6H17109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C15C14H19180.0°179.9°
C15N2C16C120.3°1.1°
N2C15C14C130.9°0.1°
N2C15C14H18179.0°180.0°
C15N2C16H20179.7°180.0°
C16N2C15C140.7°0.6°
N2C16C12H20180.0°178.9°
N2C16C12C131.0°1.0°
N2C16C12C11177.5°179.5°
C16N2C15H19179.3°179.5°
C15C14C13H18180.0°179.9°
C15C14C13C120.2°0.1°
C15C14C13C8178.0°179.5°
C16C12C13C140.7°0.5°
C16C12C13C11178.6°179.5°
C16C12C13C8179.0°180.0°
C16C12C11C10178.7°179.7°
C16C12C11H61.3°0.4°
C14C13C12C8178.3°179.5°
C14C13C12C11177.9°180.0°
C14C13C8C9177.9°180.0°
C14C13C8S1.7°0.3°
C13C14C15H19179.1°180.0°
C13C12C11C100.2°0.3°
C12C13C8C90.3°0.5°
C12C13C8S179.9°179.8°
C13C12C11H6179.8°179.8°
C12C13C14H18179.8°180.0°
C13C12C16H20179.0°179.9°
C11C12C13C80.5°0.5°
C12C11C10H6180.0°179.9°
C12C11C10C90.2°0.1°
C12C11C10H5179.8°180.0°
C11C12C16H202.5°0.6°
C13C8C9S179.7°179.7°
C13C8C9C100.2°0.3°
C13C8SO128.8°49.8°
C13C8SN186.5°63.8°
C13C8SO159.1°177.4°
C13C8C9H4179.8°179.7°
C8C13C14H182.0°0.6°
C11C10C9C80.4°0.1°
C11C10C9H5180.0°179.9°
C11C10C9H4179.5°179.9°
C8C9C10H4180.0°180.0°
C9C8SO1150.9°130.5°
C9C8SN193.9°115.9°
C9C8SO20.6°2.3°
C8C9C10H5179.6°180.0°
SC8C9C10179.5°180.0°
C8SO1N1114.7°114.2°
C8SO1O123.5°123.0°
C8SN1O113.8°113.6°
C8SN1C789.0°64.7°
SC8C9H40.5°0.0°
C8SN1H2132.5°115.2°
C9C10C11H6179.8°180.0°
O1SN1O128.6°132.8°
O1SN1C7153.3°178.3°
O1SN1H2185.2°1.6°
SN1C7H21121.5°179.9°
SN1C7C6138.1°164.5°
SN1C7H2101.4°44.5°
SN1C7H317.6°75.5°
OSN1C724.7°48.9°
OSN1H21146.2°131.2°
N1C7C6H2120.5°120.0°
N1C7C6H3120.4°120.0°
N1C7C6C5146.0°180.0°
N1C7H2H3118.6°120.1°
N1C7C6H1693.5°60.0°
N1C7C6H1725.4°60.0°
C7C6C5H16120.6°120.0°
C7C6C5H17120.5°120.0°
C7C6C5C4172.3°180.0°
C6C7H2H3118.6°119.9°
C7C6C5H1451.9°60.0°
C7C6C5H1567.3°60.0°
C7C6H16H17118.3°120.0°
C6C7N1H2116.6°15.6°
C6C5C4H14120.4°120.0°
C6C5C4H15120.4°120.0°
C6C5C4N159.8°180.0°
C5C6C7H225.5°60.0°
C5C6C7H393.6°60.0°
C6C5C4H1279.6°60.0°
C6C5C4H1339.3°60.0°
C6C5H14H15118.8°120.0°
C5C6H16H17118.3°120.0°
C17C18C19H25180.0°180.0°
C18C17C2H24180.0°179.9°
C17C18C19C20177.0°179.7°
C17C18C19C0.7°0.3°
C18C17C2C3176.5°180.0°
C18C17C2C10.1°0.1°
C19C18C17C21.4°0.0°
C18C19C20C21109.3°50.6°
C18C19C20C2573.9°129.1°
C18C19C20C177.6°179.4°
C18C19CC11.2°0.6°
C18C19CCL174.1°180.0°
C19C18C17H24178.6°180.0°
C5C4NH12120.5°120.0°
C5C4NH13120.6°120.0°
C5C4NC3109.6°180.0°
C5C4H12H13118.4°120.0°
C4C5H14H15118.9°120.0°
C4C5C6H1667.2°60.0°
C4C5C6H1751.8°60.0°
C5C4NH22129.8°56.0°
C4NC3H22120.5°124.0°
C4NC3C2123.1°180.0°
C4NC3H10116.4°60.0°
C4NC3H112.6°60.0°
NC4H12H13118.3°119.9°
NC4C5H1439.5°60.0°
NC4C5H1579.8°60.0°
C17C2C3N65.2°89.9°
C17C2C3C1176.3°179.9°
C17C2C1C1.8°0.2°
C17C2C1H1178.2°180.0°
C17C2C3H10174.2°30.0°
C17C2C3H1155.3°150.1°
C2C17C18H25178.6°179.9°
C22C23C24H8180.0°179.7°
C23C22C21H27180.0°179.7°
C22C23C24C250.4°0.3°
C23C22C21C200.2°0.0°
C23C22C21H7179.8°180.0°
C22C23C24H9179.6°180.0°
C24C23C22C210.3°0.3°
C23C24C25H9180.0°179.7°
C23C24C25C201.3°0.0°
C23C24C25H26178.7°179.9°
C24C23C22H27179.7°179.9°
C22C21C20H7180.0°180.0°
C22C21C20C250.7°0.2°
C22C21C20C19176.2°180.0°
C21C22C23H8179.7°180.0°
C24C25C20C211.4°0.2°
C24C25C20H26180.0°179.9°
C24C25C20C19175.5°180.0°
C25C24C23H8179.6°180.0°
C21C20C25C19176.9°179.7°
C21C20C19C73.1°130.0°
C21C20C25H26178.6°179.7°
C20C21C22H27179.8°179.7°
C25C20C19C103.7°50.2°
C25C20C21H7179.3°179.8°
C20C25C24H9178.7°179.7°
C20C19CC1178.9°180.0°
C20C19CCL3.6°0.6°
C19C20C21H73.8°0.1°
C20C19C18H253.0°0.3°
C19C20C25H264.5°0.0°
NC3C2H10120.5°120.0°
NC3C2H11120.5°120.0°
NC3C2C1118.5°90.0°
NC3H10H11118.4°120.0°
C3NC4H1210.9°60.0°
C3NC4H13129.8°60.0°
C19CC1C22.5°0.6°
C19CC1CL175.5°179.4°
C19CC1H1177.5°179.7°
CC19C18H25179.3°179.7°
C3C2C1C174.6°179.7°
C3C2C1H15.4°0.1°
C2C3H10H11118.4°120.0°
C2C3NH222.6°56.0°
C3C2C17H243.6°0.1°
C2C1CH1180.0°179.8°
C2C1CCL172.9°180.0°
C1C2C3H102.0°150.1°
C1C2C3H11121.0°30.0°
C1C2C17H24179.9°180.0°
CLCC1H17.1°0.3°
H2C7C6H16146.1°60.0°
H2C7C6H1795.0°180.0°
H2C7N1H21137.1°135.6°
H3C7C6H1627.0°180.0°
H3C7C6H17145.9°60.0°
H3C7N1H21103.8°104.4°
H4C9C10H50.5°0.0°
H5C10C11H60.2°0.1°
H7C21C22H270.2°0.3°
H8C23C24H90.4°0.3°
H8C23C22H270.3°0.3°
H9C24C25H261.3°0.3°
H10C3NH22123.1°63.9°
H11C3NH22117.9°176.0°
H12C4C5H14160.0°60.0°
H12C4C5H1540.7°180.0°
H12C4NH22109.6°176.1°
H13C4C5H1481.1°180.0°
H13C4C5H15159.7°60.0°
H13C4NH229.3°64.0°
H14C5C6H16172.5°60.0°
H14C5C6H1768.6°180.0°
H15C5C6H1653.2°179.9°
H15C5C6H17172.1°60.0°
H18C14C15H191.0°0.1°
H24C17C18H251.4°0.0°

224572

PDB entries from 2024-09-04

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