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JF9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C23sing1.53Å1.52Å
C22C21sing1.53Å1.53Å
C23C21sing1.53Å1.53Å
C11C10sing1.53Å1.53Å
C11C12sing1.53Å1.53Å
C21C19sing1.51Å1.54Å
C10C9sing1.53Å1.54Å
C9C8sing1.53Å1.53Å
C12C13sing1.53Å1.53Å
C19O18sing1.34Å1.32ÅAromatic
C19C20doub1.35Å1.38ÅAromatic
O18N17sing1.21Å1.37ÅAromatic
C8C13sing1.53Å1.54Å
C8N7sing1.46Å1.52Å
C20C16sing1.42Å1.40ÅAromatic
N17C16doub1.31Å1.34ÅAromatic
C16C14sing1.48Å1.54Å
N7C14sing1.35Å1.50Å
N7C4sing1.46Å1.51Å
C14O15doub1.22Å1.18Å
C4C3sing1.53Å1.52Å
C4C5sing1.53Å1.54Å
C3C2sing1.53Å1.52Å
C2C1sing1.53Å1.53Å
C5C6sing1.53Å1.53Å
C1C6sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
C8H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C9H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C10H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C12H20sing1.09Å1.10Å
C13H21sing1.09Å1.10Å
C13H22sing1.09Å1.10Å
C20H23sing1.08Å1.08Å
C21H24sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
C23H27sing1.09Å1.10Å
C23H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23C22C2160.1°59.9°
C22C23C2160.2°60.0°
C23C22H25120.0°117.5°
C23C22H26120.0°117.5°
C22C23H27120.0°117.5°
C22C23H28120.0°117.5°
C22C21C2359.7°60.1°
C22C21C19133.9°117.5°
C22C21H24109.8°117.5°
C21C22H25120.0°117.5°
C21C22H26120.0°117.5°
C23C21C19124.7°117.5°
C23C21H24109.8°117.6°
C21C23H27119.9°117.5°
C21C23H28120.0°117.5°
C10C11C12111.5°109.4°
C11C10C9116.4°109.5°
C11C10H15107.7°109.5°
C11C10H16107.7°109.4°
C10C11H17109.0°109.4°
C10C11H18109.0°109.5°
C11C12C13110.7°109.5°
C12C11H17109.0°109.5°
C12C11H18109.0°109.5°
C11C12H19109.2°109.5°
C11C12H20109.2°109.5°
C21C19O18124.5°126.7°
C21C19C20128.4°126.6°
C19C21H24109.6°115.5°
C10C9C8112.4°109.5°
C10C9H13108.7°109.5°
C10C9H14108.7°109.5°
C9C10H15107.7°109.5°
C9C10H16107.7°109.5°
C9C8C13109.9°109.4°
C9C8N7113.8°109.5°
C9C8H12108.3°109.5°
C8C9H13108.8°109.4°
C8C9H14108.8°109.4°
C12C13C8116.4°109.5°
C13C12H19109.2°109.5°
C13C12H20109.1°109.5°
C12C13H21107.7°109.5°
C12C13H22107.7°109.5°
O18C19C20107.2°106.7°
C19O18N17110.7°111.8°
C19C20C16107.4°103.9°
C19C20H23126.3°128.1°
O18N17C16107.6°111.4°
C13C8N7107.8°109.5°
C13C8H12108.3°109.5°
C8C13H21107.7°109.5°
C8C13H22107.7°109.4°
C8N7C14120.2°120.0°
C8N7C4118.3°120.0°
N7C8H12108.5°109.5°
C20C16N17107.2°106.1°
C20C16C14125.6°126.9°
C16C20H23126.3°128.0°
N17C16C14127.2°126.9°
C16C14N7121.6°120.0°
C16C14O15115.8°120.0°
C14N7C4121.4°120.0°
N7C14O15122.6°120.0°
N7C4C3113.4°109.5°
N7C4C5113.3°109.4°
N7C4H7106.0°109.5°
C3C4C5111.8°109.5°
C4C3C2108.6°109.4°
C4C3H5109.7°109.5°
C4C3H6109.7°109.5°
C3C4H7105.8°109.5°
C4C5C6111.6°109.5°
C5C4H7105.7°109.5°
C4C5H8108.9°109.5°
C4C5H9109.0°109.4°
C3C2C1110.9°109.5°
C3C2H3109.1°109.5°
C3C2H4109.1°109.4°
C2C3H5109.7°109.4°
C2C3H6109.7°109.5°
C2C1C6111.2°109.5°
C2C1H1109.0°109.5°
C2C1H2109.0°109.4°
C1C2H3109.1°109.5°
C1C2H4109.1°109.5°
C5C6C1113.1°109.5°
C6C5H8108.9°109.5°
C6C5H9108.9°109.5°
C5C6H10108.6°109.5°
C5C6H11108.5°109.5°
C6C1H1109.0°109.5°
C6C1H2109.0°109.4°
C1C6H10108.5°109.5°
C1C6H11108.6°109.5°
H1C1H2109.5°109.5°
H3C2H4109.5°109.5°
H5C3H6109.4°109.5°
H8C5H9109.5°109.5°
H10C6H11109.5°109.5°
H13C9H14109.5°109.5°
H15C10H16109.5°109.5°
H17C11H18109.5°109.5°
H19C12H20109.5°109.4°
H21C13H22109.5°109.5°
H25C22H26109.5°115.5°
H27C23H28109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23C22C21H25109.5°107.5°
C23C22C21H26109.5°107.5°
C22C23C21H27109.5°107.5°
C22C23C21H28109.5°107.5°
C23C22C21C19110.7°107.5°
C23C22C21H24101.9°107.6°
C23C22H25H26144.7°145.7°
C22C23H27H28144.7°145.7°
C22C21C19H24147.4°145.6°
C22C21C19O1857.7°59.9°
C22C21C19C20122.6°120.0°
C21C22H25H26144.6°145.8°
C23C21C19H24133.2°145.7°
C23C21C19O1821.7°8.8°
C23C21C19C20158.0°171.3°
C21C23H27H28144.6°145.7°
C10C11C12H17120.3°120.0°
C10C11C12H18120.3°120.0°
C11C10C9H15121.0°120.0°
C11C10C9H16121.0°120.0°
C11C10C9C854.1°60.0°
C10C11C12C1310.1°60.0°
C11C10C9H13174.6°180.0°
C11C10C9H1466.3°59.9°
C11C10H15H16116.9°120.0°
C10C11H17H18119.1°120.0°
C10C11C12H19110.0°60.0°
C10C11C12H20130.3°180.0°
C12C11C10C943.7°60.0°
C11C12C13H19120.2°120.0°
C11C12C13H20120.2°120.0°
C11C12C13C857.9°60.0°
C12C11C10H1577.3°60.0°
C12C11C10H16164.7°180.0°
C12C11H17H18119.1°120.1°
C11C12H19H20119.5°120.0°
C11C12C13H21178.9°60.0°
C11C12C13H2263.1°180.0°
C21C19O18C20179.8°179.9°
C21C19O18N17179.5°180.0°
C21C19C20C16180.0°179.9°
C21C19C20H230.0°0.1°
C19C21C22H251.2°145.0°
C19C21C22H26139.8°0.1°
C19C21C23H27125.5°0.0°
C19C21C23H2815.5°145.0°
C10C9C8H13120.5°120.0°
C10C9C8H14120.4°120.0°
C10C9C8C137.4°60.0°
C10C9C8N7113.7°180.0°
C10C9C8H12125.6°60.0°
C10C9H13H14118.6°120.0°
C9C10H15H16116.8°120.0°
C9C10C11H1776.6°180.0°
C9C10C11H18164.0°60.0°
C9C8C13C1247.5°60.0°
C9C8C13N7124.6°120.0°
C9C8C13H12118.2°120.0°
C9C8N7H12120.7°120.0°
C9C8N7C14140.3°60.0°
C9C8N7C441.6°120.0°
C8C9H13H14118.7°120.0°
C8C9C10H1566.8°60.0°
C8C9C10H16175.1°180.0°
C9C8C13H21168.4°60.0°
C9C8C13H2273.5°180.0°
C12C13C8H21121.0°120.0°
C12C13C8H22121.0°120.0°
C12C13C8N7172.0°180.0°
C12C13C8H1270.7°60.0°
C13C12C11H17130.4°180.0°
C13C12C11H18110.2°60.0°
C13C12H19H20119.4°120.0°
C12C13H21H22116.8°120.0°
O18C19C20C160.2°0.2°
C19O18N17C160.6°0.1°
O18C19C20H23179.7°179.8°
O18C19C21H24154.9°154.5°
C20C19O18N170.2°0.1°
C19C20C16H23180.0°180.0°
C19C20C16N170.6°0.2°
C19C20C16C14179.7°180.0°
C20C19C21H2424.8°25.6°
O18N17C16C200.8°0.2°
O18N17C16C14179.8°180.0°
C13C8N7H12117.1°120.0°
C13C8N7C1497.5°60.0°
C13C8N7C480.6°120.0°
C13C8C9H13127.9°180.0°
C13C8C9H14113.0°60.0°
C8C13C12H1962.3°60.0°
C8C13C12H20178.1°179.9°
C8C13H21H22116.9°120.0°
C8N7C14C161.9°173.7°
C8N7C14C4178.0°180.0°
C8N7C14O15178.9°6.2°
C8N7C4C3118.9°111.3°
C8N7C4C5112.2°128.8°
C8N7C4H73.3°8.7°
N7C8C9H136.8°60.0°
N7C8C9H14125.9°60.0°
N7C8C13H2167.0°60.0°
N7C8C13H2251.0°60.0°
C20C16N17C14179.0°179.8°
C20C16C14N7123.5°171.9°
C20C16C14O1555.8°8.2°
N17C16C14N757.7°7.9°
N17C16C14O15123.1°172.1°
N17C16C20H23179.3°179.8°
C16C14N7O15179.2°180.0°
C16C14N7C4179.9°6.3°
C14C16C20H230.3°0.0°
C14N7C4C363.0°68.7°
C14N7C4C565.9°51.2°
C14N7C4H7178.7°171.3°
C14N7C8H1219.6°180.0°
C4N7C14O150.9°173.8°
N7C4C3C5129.6°119.9°
N7C4C3H7115.8°120.0°
N7C4C5H7115.7°120.0°
N7C4C3C2179.3°180.0°
N7C4C5C6121.6°180.0°
N7C4C3H559.4°60.0°
N7C4C3H660.9°60.0°
N7C4C5H81.3°60.0°
N7C4C5H9118.1°60.0°
C4N7C8H12162.3°0.0°
C3C4C5H7114.7°120.0°
C4C3C2H5119.9°120.0°
C4C3C2H6119.9°120.0°
C4C3C2C167.2°60.0°
C3C4C5C68.1°60.1°
C4C3C2H353.0°180.0°
C4C3C2H4172.6°60.0°
C4C3H5H6120.4°120.1°
C3C4C5H8128.4°60.0°
C3C4C5H9112.2°180.0°
C5C4C3C251.1°60.0°
C4C5C6H8120.3°120.0°
C4C5C6H9120.3°119.9°
C4C5C6C155.6°60.0°
C5C4C3H5171.0°59.9°
C5C4C3H668.7°180.0°
C4C5H8H9119.1°119.9°
C4C5C6H1064.9°60.0°
C4C5C6H11176.2°180.0°
C3C2C1H3120.2°120.0°
C3C2C1H4120.2°120.0°
C3C2C1C619.9°60.0°
C3C2C1H1140.1°180.0°
C3C2C1H2100.4°60.0°
C3C2H3H4119.3°119.9°
C2C3H5H6120.4°120.0°
C2C3C4H763.5°60.0°
C2C1C6C540.2°60.0°
C2C1C6H1120.3°120.0°
C2C1C6H2120.3°119.9°
C2C1H1H2119.2°120.0°
C1C2H3H4119.4°120.0°
C1C2C3H5172.9°60.0°
C1C2C3H652.7°180.0°
C2C1C6H1080.4°60.0°
C2C1C6H11160.7°180.0°
C5C6C1H10120.6°120.0°
C5C6C1H11120.5°120.0°
C5C6C1H180.1°180.0°
C5C6C1H2160.5°60.0°
C6C5C4H7122.7°60.0°
C6C5H8H9119.0°120.0°
C5C6H10H11118.3°120.0°
C6C1H1H2119.2°120.0°
C6C1C2H3100.4°180.0°
C6C1C2H4140.1°60.0°
C1C6C5H8176.0°60.0°
C1C6C5H964.7°180.0°
C1C6H10H11118.3°120.0°
H1C1C2H319.9°60.0°
H1C1C2H499.7°60.1°
H1C1C6H10159.4°60.0°
H1C1C6H1140.5°60.0°
H2C1C2H3139.4°60.1°
H2C1C2H419.8°179.9°
H2C1C6H1039.9°180.0°
H2C1C6H1179.0°60.0°
H3C2C3H566.9°60.1°
H3C2C3H6172.9°59.9°
H4C2C3H552.7°180.0°
H4C2C3H667.5°60.0°
H5C3C4H756.4°180.0°
H6C3C4H7176.7°60.0°
H7C4C5H8117.0°180.0°
H7C4C5H92.4°60.0°
H8C5C6H1055.4°180.0°
H8C5C6H1163.5°60.0°
H9C5C6H10174.8°60.0°
H9C5C6H1155.9°60.1°
H12C8C9H13114.0°60.0°
H12C8C9H145.2°180.0°
H12C8C13H2150.2°180.0°
H12C8C13H22168.3°60.0°
H13C9C10H1553.6°60.0°
H13C9C10H1664.4°60.1°
H14C9C10H15172.7°179.9°
H14C9C10H1654.7°60.0°
H15C10C11H17162.4°60.0°
H15C10C11H1843.0°180.0°
H16C10C11H1744.3°60.0°
H16C10C11H1875.0°60.0°
H17C11C12H1910.3°60.0°
H17C11C12H20109.4°60.0°
H18C11C12H19129.7°180.0°
H18C11C12H2010.0°60.0°
H19C12C13H2158.7°180.0°
H19C12C13H22176.7°60.0°
H20C12C13H2160.9°60.0°
H20C12C13H2257.1°60.0°
H24C21C22H25148.5°0.1°
H24C21C22H267.6°145.0°
H24C21C23H277.6°145.0°
H24C21C23H28148.6°0.0°
H25C22C23H27141.0°145.0°
H25C22C23H280.0°0.0°
H26C22C23H270.0°0.0°
H26C22C23H28141.0°145.0°

222415

PDB entries from 2024-07-10

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