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J78

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.51Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.11Å
C1H13sing1.09Å1.12Å
C2C3sing1.39Å1.37ÅAromatic
C2N3doub1.32Å1.33ÅAromatic
C3C4doub1.39Å1.39ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.39Å1.39ÅAromatic
C4H4sing1.08Å1.10Å
C5N4doub1.32Å1.34ÅAromatic
C5N6sing1.39Å1.35Å
N4N3sing1.28Å1.34ÅAromatic
N6C7sing1.47Å1.47Å
N6C11sing1.47Å1.47Å
C7C8sing1.53Å1.51Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C8C9sing1.53Å1.51Å
C8H81sing1.09Å1.11Å
C8H82sing1.09Å1.12Å
C9C10sing1.53Å1.51Å
C9C12sing1.53Å1.50Å
C9H9sing1.09Å1.11Å
C10C11sing1.53Å1.53Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C12C13sing1.53Å1.49Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C13C14sing1.53Å1.50Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.12Å
C14O15sing1.43Å1.41Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.11Å
O15C16sing1.36Å1.36Å
C16C17doub1.39Å1.38ÅAromatic
C16C21sing1.39Å1.39ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C17H17sing1.08Å1.10Å
C18C19doub1.40Å1.39ÅAromatic
C18H18sing1.08Å1.10Å
C19C20sing1.40Å1.39ÅAromatic
C19C22sing1.48Å1.38Å
C20C21doub1.38Å1.38ÅAromatic
C20H20sing1.08Å1.10Å
C21H21sing1.08Å1.10Å
C22O23doub1.22Å1.24Å
C22O24sing1.35Å1.46Å
O24C25sing1.45Å1.39Å
C25C26sing1.53Å1.55Å
C25H251sing1.09Å1.11Å
C25H252sing1.09Å1.11Å
C26H261sing1.09Å1.11Å
C26H262sing1.09Å1.12Å
C26H263sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H11120.3°109.5°
C2C1H12108.3°109.5°
C2C1H13108.3°109.5°
C1C2C3120.3°119.9°
C1C2N3117.7°120.1°
H11C1H12108.3°109.5°
H11C1H13108.3°109.4°
H12C1H13101.6°109.4°
C3C2N3122.0°120.0°
C2C3C4118.1°118.0°
C2C3H3120.4°121.0°
C2N3N4119.1°122.3°
C4C3H3121.4°121.0°
C3C4C5119.6°117.9°
C3C4H4120.2°121.1°
C5C4H4120.2°121.0°
C4C5N4118.1°119.7°
C4C5N6121.0°120.2°
N4C5N6120.9°120.1°
C5N4N3123.1°122.1°
C5N6C7117.7°106.8°
C5N6C11120.2°106.7°
C7N6C11122.1°107.3°
N6C7C8113.0°109.8°
N6C7H71110.9°109.4°
N6C7H72110.9°109.4°
N6C11C10115.3°109.8°
N6C11H111110.1°109.4°
N6C11H112110.1°109.4°
C8C7H71110.9°109.4°
C8C7H72110.9°109.4°
C7C8C9111.5°109.2°
C7C8H81111.5°109.6°
C7C8H82111.5°109.5°
H71C7H7299.4°109.3°
C9C8H81111.5°109.5°
C9C8H82111.4°109.5°
C8C9C10115.2°108.9°
C8C9C12111.5°109.6°
C8C9H9104.3°109.5°
H81C8H8298.9°109.5°
C10C9C12110.6°109.6°
C10C9H9105.3°109.7°
C9C10C11118.0°109.2°
C9C10H101109.1°109.5°
C9C10H102109.2°109.5°
C12C9H9109.5°109.6°
C9C12C13108.8°109.5°
C9C12H121112.5°109.5°
C9C12H122112.5°109.5°
C11C10H101109.1°109.5°
C11C10H102109.1°109.6°
C10C11H111110.1°109.4°
C10C11H112110.1°109.4°
H101C10H102101.0°109.5°
H111C11H112100.1°109.4°
C13C12H121112.5°109.5°
C13C12H122112.5°109.5°
C12C13C14109.5°109.4°
C12C13H131112.2°109.5°
C12C13H132112.2°109.5°
H121C12H12297.9°109.4°
C14C13H131112.2°109.4°
C14C13H132112.2°109.4°
C13C14O15109.5°109.5°
C13C14H141112.2°109.5°
C13C14H142112.2°109.5°
H131C13H13298.3°109.5°
O15C14H141112.1°109.4°
O15C14H142112.1°109.4°
C14O15C16111.9°106.8°
H141C14H14298.3°109.5°
O15C16C17120.1°119.9°
O15C16C21117.3°119.9°
C17C16C21120.5°120.1°
C16C17C18119.7°120.1°
C16C17H17119.9°119.9°
C16C21C20119.4°120.1°
C16C21H21120.6°119.9°
C18C17H17120.4°119.9°
C17C18C19120.3°119.9°
C17C18H18119.8°120.1°
C19C18H18119.9°120.0°
C18C19C20119.7°119.8°
C18C19C22120.6°120.1°
C20C19C22119.6°120.1°
C19C20C21120.3°120.0°
C19C20H20120.1°120.0°
C19C22O23121.1°120.0°
C19C22O24118.0°120.0°
C21C20H20119.7°120.1°
C20C21H21120.0°120.0°
O23C22O24120.9°120.0°
C22O24C25118.6°120.0°
O24C25C26126.9°109.5°
O24C25H251106.1°109.5°
O24C25H252106.1°109.5°
C26C25H251106.1°109.5°
C26C25H252106.1°109.5°
C25C26H261126.9°109.5°
C25C26H262106.1°109.5°
C25C26H263106.1°109.5°
H251C25H252103.4°109.4°
H261C26H262106.2°109.4°
H261C26H263106.1°109.5°
H262C26H263103.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H11H12125.3°120.1°
C2C1H11H13125.2°120.0°
C2C1H12H13114.0°120.0°
C1C2C3N3179.0°179.9°
C1C2C3C4178.7°180.0°
C1C2C3H31.4°0.0°
C1C2N3N4178.5°179.8°
H11C1H12H13113.9°119.9°
H11C1C2C3180.0°30.0°
H11C1C2N31.0°150.0°
H12C1C2C354.7°90.0°
H12C1C2N3124.3°89.9°
H13C1C2C354.7°150.0°
H13C1C2N3126.2°30.1°
C2C3C4H3179.9°180.0°
C2C3C4C50.4°0.0°
C2C3C4H4179.5°179.9°
C3C2N3N40.5°0.2°
N3C2C3C40.3°0.0°
N3C2C3H3179.6°179.9°
C2N3N4C50.1°0.4°
C3C4C5H4179.9°180.0°
C3C4C5N41.0°0.2°
C3C4C5N6175.9°180.0°
H3C3C4C5179.6°180.0°
H3C3C4H40.4°0.1°
C4C5N4N6177.0°179.8°
C4C5N4N30.9°0.4°
C4C5N6C7171.1°179.9°
C4C5N6C118.0°65.5°
H4C4C5N4178.9°179.8°
H4C4C5N64.1°0.0°
N4C5N6C75.8°0.2°
N4C5N6C11175.1°114.3°
N6C5N4N3176.1°179.7°
C5N6C7C11179.1°114.1°
C5N6C7C8161.6°179.7°
C5N6C7H7173.1°59.6°
C5N6C7H7236.3°60.1°
C5N6C11C10161.7°179.7°
C5N6C11H11173.0°59.6°
C5N6C11H11236.4°60.2°
N6C7C8H71125.3°120.1°
N6C7C8H72125.2°120.2°
N6C7H71H72116.8°119.8°
N6C7C8C952.5°61.3°
N6C7C8H81177.8°178.7°
N6C7C8H8272.7°58.6°
C7N6C11C1017.3°65.6°
C7N6C11H111107.9°54.5°
C7N6C11H112142.7°174.3°
C11N6C7C819.3°65.6°
C11N6C7H71105.9°54.5°
C11N6C7H72144.6°174.2°
N6C11C10C920.7°61.4°
N6C11C10H111125.3°120.1°
N6C11C10H112125.3°120.1°
N6C11C10H101104.6°58.5°
N6C11C10H102145.9°178.7°
N6C11H111H112115.9°119.8°
C8C7H71H72116.8°119.8°
C7C8C9H81125.3°120.0°
C7C8C9H82125.3°119.9°
C7C8H81H82117.4°120.1°
C7C8C9C1049.2°55.5°
C7C8C9C12176.3°175.4°
C7C8C9H965.7°64.4°
H71C7C8C972.8°58.8°
H71C7C8H8152.5°61.2°
H71C7C8H82162.0°178.7°
H72C7C8C9177.7°178.5°
H72C7C8H8157.0°58.5°
H72C7C8H8252.5°61.6°
C9C8H81H82117.3°120.1°
C8C9C10C12127.5°119.9°
C8C9C10H9114.3°119.8°
C8C9C12H9114.9°120.2°
C8C9C10C1112.4°55.6°
C8C9C10H101137.7°64.4°
C8C9C10H102112.8°175.5°
C8C9C12C1370.8°180.0°
C8C9C12H12154.4°60.0°
C8C9C12H122163.9°60.0°
H81C8C9C10174.5°175.5°
H81C8C9C1258.5°64.6°
H81C8C9H959.6°55.6°
H82C8C9C1076.0°64.4°
H82C8C9C1251.0°55.5°
H82C8C9H9169.1°175.7°
C10C9C12H9115.6°120.4°
C9C10C11H101125.3°119.9°
C9C10C11H102125.2°120.0°
C9C10H101H102114.9°120.1°
C9C10C11H111104.6°58.7°
C9C10C11H112146.0°178.5°
C10C9C12C13159.7°60.6°
C10C9C12H12175.0°179.5°
C10C9C12H12234.4°59.5°
C12C9C10C11139.9°175.4°
C12C9C10H10194.8°55.5°
C12C9C10H10214.7°64.6°
C9C12C13H121125.3°120.0°
C9C12C13H122125.3°120.0°
C9C12H121H122118.4°120.0°
C9C12C13C14175.9°180.0°
C9C12C13H13158.8°60.0°
C9C12C13H13250.7°60.1°
H9C9C10C11101.9°64.2°
H9C9C10H10123.4°175.8°
H9C9C10H102132.9°55.7°
H9C9C12C1344.1°59.8°
H9C9C12H121169.4°60.2°
H9C9C12H12281.2°179.9°
C11C10H101H102114.8°120.2°
C10C11H111H112115.9°119.9°
H101C10C11H111130.1°178.6°
H101C10C11H11220.7°61.5°
H102C10C11H11120.7°61.3°
H102C10C11H11288.8°58.6°
C13C12H121H122118.4°120.1°
C12C13C14H131125.3°120.0°
C12C13C14H132125.2°120.0°
C12C13H131H132118.1°120.1°
C12C13C14O1593.4°180.0°
C12C13C14H14131.8°60.0°
C12C13C14H142141.4°60.0°
H121C12C13C1450.6°60.0°
H121C12C13H131175.9°180.0°
H121C12C13H13274.6°59.9°
H122C12C13C1458.8°60.0°
H122C12C13H13166.5°60.0°
H122C12C13H132176.0°179.9°
C14C13H131H132118.1°119.9°
C13C14O15H141125.3°120.0°
C13C14O15H142125.3°120.0°
C13C14H141H142118.2°120.0°
C13C14O15C16131.9°180.0°
H131C13C14O15141.3°60.0°
H131C13C14H14193.4°179.9°
H131C13C14H14216.1°60.0°
H132C13C14O1531.8°60.0°
H132C13C14H141157.0°60.0°
H132C13C14H14293.4°179.9°
O15C14H141H142118.1°120.0°
C14O15C16C1767.5°180.0°
C14O15C16C2196.3°0.0°
H141C14O15C16102.8°60.0°
H142C14O15C166.7°60.0°
O15C16C17C21163.4°179.9°
O15C16C17C18162.4°180.0°
O15C16C17H1717.6°0.0°
O15C16C21C20163.1°179.7°
O15C16C21H2117.0°0.0°
C16C17C18H17179.9°179.9°
C16C17C18C190.0°0.1°
C16C17C18H18180.0°180.0°
C17C16C21C200.8°0.3°
C17C16C21H21179.2°179.9°
C21C16C17C180.9°0.1°
C21C16C17H17179.0°180.0°
C16C21C20C190.3°0.6°
C16C21C20H21180.0°179.7°
C16C21C20H20179.6°180.0°
C17C18C19H18180.0°180.0°
C17C18C19C201.1°0.2°
C17C18C19C22174.5°179.9°
H17C17C18C19179.9°180.0°
H17C17C18H180.0°0.0°
C18C19C20C22175.7°179.7°
C18C19C20C211.3°0.6°
C18C19C20H20178.7°180.0°
C18C19C22O232.3°0.1°
C18C19C22O24178.0°180.0°
H18C18C19C20178.9°179.7°
H18C18C19C225.5°0.1°
C19C20C21H20180.0°179.5°
C19C20C21H21179.7°179.8°
C20C19C22O23177.9°179.8°
C20C19C22O242.4°0.3°
C22C19C20C21174.4°179.8°
C22C19C20H205.6°0.3°
C19C22O23O24179.7°179.9°
C19C22O24C25112.1°179.9°
H20C20C21H210.4°0.3°
O23C22O24C2568.2°0.0°
C22O24C25C2657.3°180.0°
C22O24C25H25168.0°60.0°
C22O24C25H252177.5°60.0°
O24C25C26H251125.2°120.0°
O24C25C26H252125.2°120.0°
O24C25H251H252111.4°120.0°
O24C25C26H261180.0°180.0°
O24C25C26H26254.7°60.1°
O24C25C26H26354.7°59.9°
C26C25H251H252111.5°120.0°
C25C26H261H262125.3°120.0°
C25C26H261H263125.3°120.1°
C25C26H262H263111.3°120.1°
H251C25C26H26154.7°60.0°
H251C25C26H262179.9°60.0°
H251C25C26H26370.5°180.0°
H252C25C26H26154.8°60.0°
H252C25C26H26270.5°179.9°
H252C25C26H263179.9°60.1°
H261C26H262H263111.5°120.0°

218853

PDB entries from 2024-04-24

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