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D2W

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3C2doub1.38Å1.39ÅAromatic
C3C6sing1.39Å1.38ÅAromatic
C2C1sing1.38Å1.40ÅAromatic
O7C6sing1.36Å1.37Å
O7C8sing1.43Å1.44Å
C6C5doub1.39Å1.40ÅAromatic
C25C24doub1.38Å1.38ÅAromatic
C25C26sing1.39Å1.38ÅAromatic
C8C9sing1.53Å1.53Å
C1C4doub1.39Å1.39ÅAromatic
C24C15sing1.40Å1.39ÅAromatic
O29C26sing1.36Å1.36Å
O29C30sing1.43Å1.44Å
C5C4sing1.40Å1.38ÅAromatic
C5O10sing1.36Å1.38Å
C26C27doub1.39Å1.40ÅAromatic
C4C16sing1.48Å1.49Å
C30C31sing1.53Å1.52Å
C33N32sing1.47Å1.49Å
O14C13doub1.22Å1.21Å
C15C13sing1.48Å1.49Å
C15C28doub1.40Å1.39ÅAromatic
O10C9sing1.43Å1.43Å
C13N12sing1.35Å1.27Å
C9C11sing1.53Å1.56Å
C31N32sing1.47Å1.48Å
C17C16doub1.39Å1.42ÅAromatic
C17C18sing1.39Å1.42ÅAromatic
C27C28sing1.38Å1.39ÅAromatic
C16N21sing1.33Å1.39ÅAromatic
N12C11sing1.47Å1.46Å
N32C34sing1.47Å1.48Å
C18C19doub1.39Å1.42ÅAromatic
N21C20doub1.32Å1.37ÅAromatic
C19C20sing1.39Å1.43ÅAromatic
C20O22sing1.36Å1.39Å
O22C23sing1.43Å1.44Å
C28H1sing1.08Å1.08Å
C27H2sing1.08Å1.08Å
C30H3sing1.09Å1.10Å
C30H4sing1.09Å1.10Å
C31H5sing1.09Å1.10Å
C31H6sing1.09Å1.10Å
C34H8sing1.09Å1.10Å
C34H9sing1.09Å1.10Å
C34H10sing1.09Å1.10Å
C33H11sing1.09Å1.10Å
C33H12sing1.09Å1.10Å
C33H13sing1.09Å1.10Å
C25H14sing1.08Å1.08Å
C24H15sing1.08Å1.08Å
N12H16sing0.97Å1.00Å
C11H17sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C9H19sing1.09Å1.10Å
C8H20sing1.09Å1.10Å
C8H21sing1.09Å1.10Å
C3H22sing1.08Å1.08Å
C2H23sing1.08Å1.08Å
C1H24sing1.08Å1.08Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C23H27sing1.09Å1.10Å
C19H28sing1.08Å1.08Å
C18H29sing1.08Å1.08Å
C17H30sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C3C6118.4°120.3°
C3C2C1120.4°120.3°
C2C3H22120.8°119.8°
C3C2H23119.8°119.9°
C3C6O7120.3°119.3°
C3C6C5121.1°119.9°
C6C3H22120.8°119.9°
C2C1C4121.0°119.9°
C1C2H23119.8°119.8°
C2C1H24119.5°120.1°
C6O7C8117.7°116.7°
O7C6C5118.6°120.7°
O7C8C9108.2°108.2°
O7C8H20109.8°109.7°
O7C8H21109.8°109.7°
C6C5C4121.0°119.8°
C6C5O10119.2°120.9°
C24C25C26119.3°120.1°
C25C24C15120.7°119.9°
C24C25H14120.4°120.0°
C25C24H15119.6°120.0°
C25C26O29116.2°119.9°
C25C26C27120.0°120.2°
C26C25H14120.3°119.9°
C8C9O10100.8°108.2°
C8C9C11115.7°109.7°
C8C9H19107.0°109.7°
C9C8H20109.8°109.8°
C9C8H21109.8°109.7°
C1C4C5118.1°119.8°
C1C4C16121.8°120.1°
C4C1H24119.5°120.0°
C24C15C13120.2°120.1°
C24C15C28120.4°119.8°
C15C24H15119.7°120.0°
C26O29C30112.2°117.0°
O29C26C27123.6°119.9°
O29C30C31116.3°109.5°
O29C30H3107.8°109.5°
O29C30H4107.7°109.5°
C4C5O10119.8°119.4°
C5C4C16120.1°120.1°
C5O10C9117.3°116.7°
C26C27C28120.7°120.1°
C26C27H2119.6°120.0°
C4C16C17122.4°119.7°
C4C16N21116.8°119.7°
C30C31N32114.2°109.5°
C31C30H3107.7°109.5°
C31C30H4107.7°109.5°
C30C31H5108.3°109.5°
C30C31H6108.3°109.5°
C33N32C31114.6°111.0°
C33N32C34113.2°111.0°
N32C33H11109.5°109.5°
N32C33H12109.5°109.4°
N32C33H13109.4°109.5°
O14C13C15118.4°120.0°
O14C13N12119.4°120.0°
C13C15C28119.4°120.0°
C15C13N12122.2°119.9°
C15C28C27118.8°119.9°
C15C28H1120.6°120.1°
O10C9C11117.7°109.7°
O10C9H19108.2°109.7°
C13N12C11136.4°120.0°
C13N12H16111.8°120.0°
C9C11N12110.3°109.4°
C9C11H17109.3°109.5°
C9C11H18109.2°109.5°
C11C9H19106.7°109.7°
C31N32C34110.7°111.0°
N32C31H5108.3°109.5°
N32C31H6108.3°109.4°
C16C17C18118.4°119.2°
C17C16N21120.7°120.6°
C16C17H30120.8°120.4°
C17C18C19119.8°118.5°
C17C18H29120.1°120.7°
C18C17H30120.8°120.3°
C27C28H1120.6°120.1°
C28C27H2119.6°119.9°
C16N21C20122.0°121.5°
C11N12H16111.8°120.0°
N12C11H17109.3°109.4°
N12C11H18109.3°109.5°
N32C34H8109.5°109.5°
N32C34H9109.4°109.4°
N32C34H10109.4°109.5°
C18C19C20120.0°119.4°
C18C19H28120.0°120.3°
C19C18H29120.1°120.7°
N21C20C19119.0°120.8°
N21C20O22116.1°119.6°
C19C20O22124.8°119.6°
C20C19H28120.0°120.3°
C20O22C23123.0°117.0°
O22C23H25109.5°109.5°
O22C23H26109.5°109.4°
O22C23H27109.5°109.5°
H3C30H4109.5°109.4°
H5C31H6109.4°109.5°
H8C34H9109.5°109.5°
H8C34H10109.5°109.5°
H9C34H10109.5°109.5°
H11C33H12109.5°109.5°
H11C33H13109.5°109.5°
H12C33H13109.5°109.4°
H17C11H18109.4°109.5°
H20C8H21109.5°109.7°
H25C23H26109.4°109.5°
H25C23H27109.5°109.5°
H26C23H27109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C3C6H22180.0°179.9°
C3C2C1H23180.0°179.9°
C2C3C6O7179.2°179.9°
C2C3C6C50.5°0.0°
C3C2C1C40.4°0.2°
C3C2C1H24179.6°179.9°
C6C3C2C10.2°0.1°
C3C6O7C5179.7°179.9°
C3C6O7C8168.9°162.8°
C3C6C5C41.1°0.2°
C3C6C5O10178.5°179.7°
C6C3C2H23179.8°180.0°
C2C1C4H24180.0°180.0°
C2C1C4C51.0°0.0°
C2C1C4C16178.9°179.9°
C1C2C3H22179.8°180.0°
C6O7C8C946.5°46.2°
O7C6C5C4178.6°179.8°
O7C6C5O101.8°0.3°
C6O7C8H20166.3°73.5°
C6O7C8H2173.3°165.9°
O7C6C3H220.8°0.3°
C8O7C6C510.8°17.3°
O7C8C9H20119.8°119.7°
O7C8C9H21119.8°119.7°
O7C8C9O1066.4°59.7°
O7C8C9C11165.4°179.4°
O7C8C9H1946.7°60.0°
O7C8H20H21120.6°120.6°
C6C5C4C11.3°0.1°
C6C5C4O10179.6°179.9°
C6C5C4C16179.3°179.9°
C6C5O10C926.2°17.2°
C5C6C3H22179.5°179.8°
C24C25C26H14180.0°179.5°
C25C24C15H15180.0°179.6°
C24C25C26O29177.7°179.8°
C24C25C26C271.8°0.3°
C25C24C15C13179.6°179.8°
C25C24C15C281.1°0.5°
C26C25C24C151.7°0.5°
C25C26O29C27175.8°180.0°
C25C26O29C3071.3°0.0°
C25C26C27C281.3°0.0°
C25C26C27H2178.7°180.0°
C26C25C24H15178.3°179.9°
C8C9O10C558.1°46.1°
C8C9O10C11126.9°119.7°
C8C9O10H19112.1°119.7°
C8C9C11H19118.9°120.6°
C8C9C11N1253.9°177.1°
C8C9C11H17174.0°62.9°
C8C9C11H1866.3°57.1°
C9C8H20H21120.6°120.6°
C1C4C5C16178.0°180.0°
C1C4C5O10178.3°179.8°
C1C4C16C1745.9°46.8°
C1C4C16N21132.7°133.0°
C4C1C2H23179.6°179.9°
C24C15C13O14101.5°179.7°
C24C15C13C28179.3°179.7°
C24C15C13N1278.6°0.0°
C24C15C28C270.6°0.2°
C24C15C28H1179.4°179.8°
C15C24C25H14178.3°180.0°
C26O29C30C31134.8°180.0°
O29C26C27C28176.9°180.0°
O29C26C27H23.1°0.0°
C26O29C30H313.9°60.0°
C26O29C30H4104.2°60.0°
O29C26C25H142.3°0.2°
C30O29C26C27104.5°180.0°
O29C30C31H3121.0°120.0°
O29C30C31H4121.0°120.0°
O29C30C31N327.0°65.0°
O29C30H3H4116.9°120.0°
O29C30C31H5127.7°175.0°
O29C30C31H6113.7°55.0°
C4C5O10C9153.5°162.9°
C5C4C16C17136.2°133.2°
C5C4C16N2145.3°47.0°
C5C4C1H24179.0°180.0°
O10C5C4C160.3°0.2°
C5O10C9C11175.0°165.8°
C5O10C9H1954.0°73.6°
C26C27C28C150.7°0.0°
C26C27C28H2180.0°180.0°
C26C27C28H1179.3°180.0°
C27C26C25H14178.2°179.8°
C4C16C17N21178.5°179.8°
C4C16C17C18178.8°179.7°
C4C16N21C20180.0°180.0°
C16C4C1H241.1°0.0°
C4C16C17H301.2°0.0°
C30C31N32C3358.6°170.0°
C30C31N32H5120.7°120.0°
C30C31N32H6120.7°120.0°
C30C31N32C3470.9°66.1°
C31C30H3H4116.9°120.0°
C30C31H5H6117.9°120.0°
C33N32C31C34129.6°123.9°
C33N32C31H5179.3°70.0°
C33N32C31H662.1°50.0°
C33N32C34H8180.0°64.0°
C33N32C34H960.0°56.1°
C33N32C34H1060.0°176.1°
N32C33H11H12120.0°120.0°
N32C33H11H13120.0°120.0°
N32C33H12H13120.0°120.0°
O14C13C15N12179.9°179.8°
O14C13C15C2877.8°0.0°
O14C13N12C11179.1°0.0°
O14C13N12H160.9°180.0°
C13C15C28C27179.9°180.0°
C15C13N12C111.0°179.7°
C13C15C28H10.1°0.0°
C13C15C24H150.4°0.2°
C15C13N12H16179.0°0.2°
C28C15C13N12102.1°179.7°
C15C28C27H1180.0°180.0°
C15C28C27H2179.3°180.0°
C28C15C24H15178.9°179.9°
O10C9C11H19121.8°120.7°
O10C9C11N1265.4°64.1°
O10C9C11H1754.7°55.8°
O10C9C11H18174.4°175.9°
O10C9C8H20173.8°60.0°
O10C9C8H2153.4°179.4°
C13N12C11C9107.5°175.1°
C13N12C11H16180.0°180.0°
C13N12C11H17132.3°64.9°
C13N12C11H1812.6°55.1°
C9C11N12H17120.1°120.0°
C9C11N12H18120.1°120.0°
C9C11N12H1672.5°4.9°
C9C11H17H18119.6°120.1°
C11C9C8H2045.6°59.7°
C11C9C8H2174.8°60.9°
N32C31C30H3114.0°55.1°
N32C31C30H4127.9°175.0°
N32C31H5H6117.8°120.0°
C31N32C34H849.7°60.0°
C31N32C34H9169.7°180.0°
C31N32C34H1070.3°60.0°
C31N32C33H11180.0°60.0°
C31N32C33H1260.0°180.0°
C31N32C33H1360.0°60.0°
C16C17C18H30180.0°179.7°
C16C17C18C190.8°0.6°
C17C16N21C201.4°0.2°
C16C17C18H29179.2°179.7°
C18C17C16N210.3°0.5°
C17C18C19H29180.0°179.7°
C17C18C19C200.7°0.3°
C17C18C19H28179.3°179.7°
C16N21C20C191.5°0.1°
C16N21C20O22178.9°180.0°
N21C16C17H30179.8°179.8°
N12C11H17H18119.6°120.0°
N12C11C9H19172.8°56.6°
C34N32C31H549.8°54.0°
C34N32C31H6168.4°173.9°
N32C34H8H9120.0°120.0°
N32C34H8H10120.0°120.0°
N32C34H9H10120.0°120.0°
C34N32C33H1151.7°176.1°
C34N32C33H12171.7°56.1°
C34N32C33H1368.3°63.9°
C18C19C20N210.4°0.0°
C18C19C20H28180.0°180.0°
C18C19C20O22180.0°180.0°
C19C18C17H30179.2°179.7°
N21C20C19O22179.6°180.0°
N21C20O22C23145.2°5.1°
N21C20C19H28179.5°180.0°
C19C20O22C2335.2°174.9°
C20C19C18H29179.3°180.0°
C20O22C23H25180.0°55.1°
C20O22C23H2660.0°64.9°
C20O22C23H2760.0°175.1°
O22C20C19H280.0°0.0°
O22C23H25H26120.0°119.9°
O22C23H25H27120.0°120.0°
O22C23H26H27120.0°120.0°
H1C28C27H20.7°0.0°
H3C30C31H56.7°64.9°
H3C30C31H6125.3°175.1°
H4C30C31H5111.4°55.0°
H4C30C31H67.2°65.0°
H8C34H9H10120.0°120.0°
H11C33H12H13120.0°120.0°
H14C25C24H151.7°0.4°
H16N12C11H1747.7°115.1°
H16N12C11H18167.4°124.9°
H17C11C9H1967.1°176.5°
H18C11C9H1952.6°63.5°
H19C9C8H2073.2°179.7°
H19C9C8H21166.5°59.7°
H22C3C2H230.2°0.1°
H23C2C1H240.4°0.0°
H25C23H26H27120.0°120.0°
H28C19C18H290.7°0.0°
H29C18C17H300.8°0.0°

222624

PDB entries from 2024-07-17

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