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0NI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C7doub1.39Å1.38ÅAromatic
C6C5sing1.37Å1.38ÅAromatic
C7C8sing1.38Å1.38ÅAromatic
C5C4doub1.40Å1.39ÅAromatic
C8C9doub1.39Å1.39ÅAromatic
C4C9sing1.41Å1.41ÅAromatic
C4C3sing1.47Å1.47Å
C9Nsing1.38Å1.39Å
OC3doub1.22Å1.23Å
C3C2sing1.42Å1.47Å
NC1sing1.36Å1.38Å
C13C12sing1.51Å1.50Å
C18C17sing1.51Å1.50Å
C1C2doub1.35Å1.36Å
C1Csing1.51Å1.49Å
C2C10sing1.51Å1.51Å
C15C16sing1.51Å1.50Å
C15C14sing1.53Å1.54Å
C17C19sing1.51Å1.51Å
C17C16doub1.31Å1.33Å
C12C11doub1.31Å1.33Å
C12C14sing1.51Å1.51Å
C19C20sing1.53Å1.54Å
C11C10sing1.51Å1.50Å
C20C21sing1.51Å1.50Å
C21C22doub1.31Å1.32Å
C24C22sing1.51Å1.50Å
C22C23sing1.51Å1.50Å
CH1sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH3sing1.09Å1.10Å
C10H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C11H6sing1.08Å1.08Å
C13H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C16H16sing1.08Å1.08Å
C18H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C20H25sing1.09Å1.10Å
C20H26sing1.09Å1.10Å
C21H27sing1.08Å1.08Å
C23H30sing1.09Å1.10Å
C23H31sing1.09Å1.10Å
C23H32sing1.09Å1.10Å
C24H33sing1.09Å1.10Å
C24H34sing1.09Å1.10Å
C24H35sing1.09Å1.10Å
C5H36sing1.08Å1.08Å
C6H37sing1.08Å1.08Å
C7H38sing1.08Å1.08Å
C8H39sing1.08Å1.08Å
NH24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C6C5120.4°120.5°
C6C7C8120.5°120.7°
C7C6H37119.8°119.8°
C6C7H38119.8°119.7°
C6C5C4120.1°119.7°
C6C5H36120.0°120.2°
C5C6H37119.7°119.7°
C7C8C9119.8°119.7°
C8C7H38119.8°119.6°
C7C8H39120.1°120.2°
C5C4C9119.3°120.0°
C5C4C3120.6°121.5°
C4C5H36119.9°120.1°
C8C9C4119.9°119.3°
C8C9N120.7°121.2°
C9C8H39120.1°120.1°
C9C4C3120.1°118.5°
C4C9N119.4°119.5°
C4C3O122.1°121.2°
C4C3C2116.7°117.7°
C9NC1122.0°121.6°
C9NH24119.0°119.2°
OC3C2121.2°121.1°
C3C2C1120.1°120.1°
C3C2C10118.1°119.9°
NC1C2121.7°122.5°
NC1C113.1°118.8°
C1NH24119.0°119.2°
C13C12C11123.7°120.0°
C13C12C14115.3°120.0°
C12C13H9109.5°109.5°
C12C13H10109.5°109.5°
C12C13H11109.5°109.4°
C18C17C19115.4°120.0°
C18C17C16123.7°120.0°
C17C18H19109.5°109.5°
C17C18H20109.5°109.5°
C17C18H21109.5°109.5°
C2C1C125.2°118.7°
C1C2C10121.8°120.0°
C1CH1109.5°109.5°
C1CH2109.5°109.5°
C1CH3109.5°109.5°
C2C10C11111.5°109.5°
C2C10H4109.0°109.5°
C2C10H5108.9°109.5°
C16C15C14111.6°109.5°
C15C16C17127.7°120.0°
C16C15H14108.9°109.4°
C16C15H15108.9°109.5°
C15C16H16116.1°120.0°
C15C14C12113.0°109.4°
C15C14H12108.6°109.5°
C15C14H13108.6°109.5°
C14C15H14109.0°109.5°
C14C15H15109.0°109.5°
C19C17C16121.0°120.0°
C17C19C20112.9°109.5°
C17C19H22108.6°109.5°
C17C19H23108.6°109.5°
C17C16H16116.2°120.0°
C11C12C14120.9°120.0°
C12C11C10126.5°120.0°
C12C11H6116.7°120.0°
C12C14H12108.6°109.5°
C12C14H13108.6°109.5°
C19C20C21111.4°109.5°
C20C19H22108.6°109.5°
C20C19H23108.6°109.4°
C19C20H25109.0°109.5°
C19C20H26109.0°109.4°
C11C10H4109.0°109.5°
C11C10H5109.0°109.5°
C10C11H6116.7°120.0°
C20C21C22128.0°120.0°
C21C20H25109.0°109.5°
C21C20H26109.0°109.5°
C20C21H27116.0°120.0°
C21C22C24122.7°120.1°
C21C22C23122.8°120.0°
C22C21H27116.0°120.0°
C24C22C23114.5°120.0°
C22C24H33109.5°109.5°
C22C24H34109.5°109.5°
C22C24H35109.5°109.4°
C22C23H30109.5°109.5°
C22C23H31109.5°109.5°
C22C23H32109.5°109.4°
H1CH2109.5°109.5°
H1CH3109.4°109.4°
H2CH3109.5°109.5°
H4C10H5109.4°109.5°
H9C13H10109.4°109.5°
H9C13H11109.5°109.4°
H10C13H11109.4°109.4°
H12C14H13109.5°109.5°
H14C15H15109.4°109.4°
H19C18H20109.4°109.5°
H19C18H21109.5°109.4°
H20C18H21109.4°109.5°
H22C19H23109.5°109.4°
H25C20H26109.5°109.4°
H30C23H31109.5°109.5°
H30C23H32109.5°109.5°
H31C23H32109.5°109.5°
H33C24H34109.5°109.5°
H33C24H35109.5°109.4°
H34C24H35109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C6C5H37180.0°179.9°
C6C7C8H38180.0°180.0°
C7C6C5C40.0°0.1°
C6C7C8C90.2°0.0°
C7C6C5H36180.0°180.0°
C6C7C8H39179.8°180.0°
C5C6C7C80.2°0.1°
C6C5C4H36180.0°179.9°
C6C5C4C90.1°0.1°
C6C5C4C3179.4°179.4°
C5C6C7H38179.8°179.9°
C7C8C9H39180.0°180.0°
C7C8C9C40.1°0.1°
C7C8C9N179.5°179.9°
C8C7C6H37179.8°180.0°
C5C4C9C80.1°0.0°
C5C4C9C3179.6°179.5°
C5C4C9N179.7°180.0°
C5C4C3O0.3°0.3°
C5C4C3C2179.5°179.7°
C4C5C6H37180.0°180.0°
C8C9C4N179.6°180.0°
C8C9C4C3179.5°179.5°
C8C9NC1179.3°179.5°
C9C8C7H38179.8°180.0°
C8C9NH240.7°0.3°
C9C4C3O179.9°179.8°
C9C4C3C20.1°0.3°
C4C9NC10.3°0.5°
C9C4C5H36179.9°180.0°
C4C9C8H39179.9°179.9°
C4C9NH24179.7°179.7°
C3C4C9N0.1°0.5°
C4C3OC2179.8°180.0°
C4C3C2C10.1°0.0°
C4C3C2C10179.7°180.0°
C3C4C5H360.6°0.5°
C9NC1H24180.0°179.8°
C9NC1C20.2°0.2°
C9NC1C179.8°179.7°
NC9C8H390.5°0.1°
OC3C2C1179.9°180.0°
OC3C2C100.1°0.0°
C3C2C1N0.0°0.0°
C3C2C1C10179.8°180.0°
C3C2C1C180.0°180.0°
C3C2C10C1178.8°85.0°
C3C2C10H441.5°155.0°
C3C2C10H5160.8°35.0°
NC1C2C180.0°179.9°
NC1C2C10179.8°180.0°
NC1CH1180.0°0.0°
NC1CH260.0°120.0°
NC1CH360.0°120.0°
C13C12C14C1524.8°87.1°
C13C12C11C14179.9°179.9°
C13C12C11C10130.4°178.8°
C13C12C11H649.6°1.2°
C12C13H9H10120.0°120.1°
C12C13H9H11120.0°120.0°
C12C13H10H11120.0°120.0°
C13C12C14H1295.7°32.9°
C13C12C14H13145.4°152.9°
C18C17C16C1528.8°7.2°
C18C17C19C16179.9°180.0°
C18C17C19C2048.4°85.0°
C18C17C16H16151.1°172.9°
C17C18H19H20120.0°120.0°
C17C18H19H21120.0°120.0°
C17C18H20H21120.0°120.0°
C18C17C19H22168.9°35.1°
C18C17C19H2372.1°155.0°
C1C2C10C11101.0°95.0°
C2C1CH10.1°180.0°
C2C1CH2120.0°60.0°
C2C1CH3120.0°60.0°
C1C2C10H4138.7°25.0°
C1C2C10H519.3°145.0°
C2C1NH24179.8°180.0°
CC1C2C100.2°0.0°
C1CH1H2120.0°120.0°
C1CH1H3120.0°120.0°
C1CH2H3120.0°120.0°
CC1NH240.2°0.1°
C2C10C11C1298.9°120.0°
C2C10C11H4120.3°120.0°
C2C10C11H5120.3°120.0°
C2C10H4H5119.0°120.0°
C2C10C11H681.1°59.9°
C16C15C14H14120.3°120.0°
C16C15C14H15120.3°120.0°
C15C16C17C19151.0°172.8°
C15C16C17H16180.0°180.0°
C16C15C14C12176.9°180.0°
C16C15C14H1262.5°60.0°
C16C15C14H1356.4°60.0°
C16C15H14H15119.0°119.9°
C14C15C16C17114.8°123.2°
C15C14C12C11155.3°93.0°
C15C14C12H12120.5°120.0°
C15C14C12H13120.5°120.0°
C15C14H12H13118.4°120.0°
C14C15H14H15119.0°120.0°
C14C15C16H1665.2°56.7°
C17C19C20H22120.5°120.0°
C17C19C20H23120.5°120.0°
C17C19C20C21178.0°180.0°
C19C17C16H1629.0°7.2°
C19C17C18H19180.0°94.4°
C19C17C18H2060.0°145.6°
C19C17C18H2160.0°25.5°
C17C19H22H23118.4°120.0°
C17C19C20H2557.7°60.0°
C17C19C20H2661.7°60.0°
C16C17C19C20131.8°95.0°
C17C16C15H145.5°3.2°
C17C16C15H15124.8°116.7°
C16C17C18H190.2°85.5°
C16C17C18H20120.2°34.5°
C16C17C18H21119.9°154.5°
C16C17C19H2211.2°145.0°
C16C17C19H23107.7°25.0°
C12C11C10H6180.0°180.0°
C12C11C10H421.4°119.9°
C12C11C10H5140.8°0.0°
C11C12C13H9180.0°89.9°
C11C12C13H1060.0°150.0°
C11C12C13H1160.0°30.0°
C11C12C14H1284.2°147.0°
C11C12C14H1334.8°27.0°
C14C12C11C1049.7°1.2°
C14C12C11H6130.3°178.7°
C14C12C13H90.1°90.0°
C14C12C13H10119.9°30.1°
C14C12C13H11120.2°150.0°
C12C14H12H13118.4°120.0°
C12C14C15H1456.6°60.0°
C12C14C15H1562.7°60.0°
C19C20C21H25120.3°120.0°
C19C20C21H26120.3°120.0°
C19C20C21C22167.6°119.8°
C20C19H22H23118.4°119.9°
C19C20H25H26119.1°119.9°
C19C20C21H2712.4°60.3°
C11C10H4H5119.1°120.0°
C20C21C22H27180.0°179.9°
C20C21C22C24133.5°179.1°
C20C21C22C2346.6°1.0°
C21C20C19H2261.5°60.0°
C21C20C19H2357.5°60.0°
C21C20H25H26119.1°120.0°
C21C22C24C23179.9°179.9°
C22C21C20H2572.1°0.3°
C22C21C20H2647.3°120.3°
C21C22C23H30180.0°83.9°
C21C22C23H3160.0°156.1°
C21C22C23H3260.0°36.1°
C21C22C24H33180.0°90.0°
C21C22C24H3460.0°149.9°
C21C22C24H3560.0°29.9°
C24C22C21H2746.5°1.0°
C24C22C23H300.1°96.1°
C24C22C23H31120.1°24.0°
C24C22C23H32119.8°144.0°
C22C24H33H34120.0°120.0°
C22C24H33H35120.0°119.9°
C22C24H34H35120.0°120.0°
C23C22C21H27133.4°179.0°
C22C23H30H31120.0°120.0°
C22C23H30H32120.0°119.9°
C22C23H31H32120.0°119.9°
C23C22C24H330.2°90.1°
C23C22C24H34119.9°30.0°
C23C22C24H35120.2°150.0°
H1CH2H3119.9°120.0°
H4C10C11H6158.6°60.1°
H5C10C11H639.2°179.9°
H9C13H10H11120.0°119.9°
H12C14C15H14177.1°180.0°
H12C14C15H1557.8°60.0°
H13C14C15H1463.9°60.0°
H13C14C15H15176.7°180.0°
H14C15C16H16174.5°176.8°
H15C15C16H1655.2°63.3°
H19C18H20H21120.0°120.0°
H22C19C20H25178.2°180.0°
H22C19C20H2658.8°60.1°
H23C19C20H2562.8°60.1°
H23C19C20H26177.8°180.0°
H25C20C21H27107.9°179.7°
H26C20C21H27132.7°59.7°
H30C23H31H32120.0°120.0°
H33C24H34H35120.0°120.0°
H36C5C6H370.0°0.1°
H37C6C7H380.2°0.0°
H38C7C8H390.2°0.0°

224931

PDB entries from 2024-09-11

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