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B9W

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O29C28doub1.22Å1.22Å
C28C30sing1.40Å1.50Å
C28N26sing1.35Å1.38Å
C27N26sing1.47Å1.44Å
C30C31doub1.36Å1.34Å
N26C25sing1.36Å1.39Å
C31C24sing1.41Å1.45Å
C25C24doub1.36Å1.35Å
C24N23sing1.40Å1.40Å
N23N22sing1.40Å1.35ÅAromatic
N23C19sing1.37Å1.38ÅAromatic
N22C21doub1.30Å1.33ÅAromatic
C19C18sing1.39Å1.38ÅAromatic
C19C20doub1.41Å1.39ÅAromatic
C21C20sing1.46Å1.41ÅAromatic
C18C17doub1.37Å1.38ÅAromatic
C20C32sing1.40Å1.38ÅAromatic
C17C16sing1.39Å1.38ÅAromatic
C32C16doub1.38Å1.38ÅAromatic
C16O15sing1.36Å1.40Å
C1C2sing1.53Å1.51Å
O15C13sing1.43Å1.43Å
C13C4sing1.53Å1.53Å
C13C33sing1.51Å1.49Å
C2C4sing1.53Å1.53Å
C2C3sing1.53Å1.51Å
C4N6sing1.46Å1.45Å
C33C38doub1.38Å1.38ÅAromatic
C33C34sing1.38Å1.38ÅAromatic
C38C37sing1.38Å1.38ÅAromatic
C34C35doub1.38Å1.38ÅAromatic
C37C36doub1.38Å1.38ÅAromatic
C35C36sing1.38Å1.38ÅAromatic
N6C7sing1.35Å1.38Å
C7O8doub1.21Å1.22Å
C7C9sing1.51Å1.51Å
C10C9sing1.53Å1.51Å
C9F11sing1.40Å1.37Å
C9F12sing1.40Å1.35Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
N6H8sing0.97Å1.00Å
C10H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C21H13sing1.08Å1.08Å
C27H14sing1.09Å1.10Å
C27H15sing1.09Å1.10Å
C27H16sing1.09Å1.10Å
C30H17sing1.08Å1.08Å
C31H18sing1.08Å1.08Å
C32H19sing1.08Å1.08Å
C34H20sing1.08Å1.08Å
C35H21sing1.08Å1.08Å
C4H22sing1.09Å1.10Å
C17H23sing1.08Å1.08Å
C18H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C36H26sing1.08Å1.08Å
C37H27sing1.08Å1.08Å
C38H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O29C28C30119.2°119.9°
O29C28N26123.3°119.9°
C30C28N26117.5°120.2°
C28C30C31117.5°119.4°
C28C30H17121.2°120.3°
C28N26C27117.7°119.6°
C28N26C25122.1°120.8°
C27N26C25120.0°119.6°
N26C27H14109.5°109.4°
N26C27H15109.5°109.5°
N26C27H16109.5°109.4°
C30C31C24123.2°119.2°
C31C30H17121.3°120.3°
C30C31H18118.4°120.4°
N26C25C24121.3°120.6°
N26C25H25119.4°119.7°
C31C24C25118.3°119.8°
C31C24N23119.6°120.1°
C24C31H18118.4°120.4°
C25C24N23121.8°120.1°
C24C25H25119.3°119.7°
C24N23N22121.0°125.5°
C24N23C19128.1°125.5°
N22N23C19110.0°109.1°
N23N22C21107.5°110.1°
N23C19C18130.7°133.7°
N23C19C20107.0°106.7°
N22C21C20110.4°107.8°
N22C21H13124.8°126.1°
C18C19C20122.3°119.6°
C19C18C17115.1°120.0°
C19C18H24122.4°120.0°
C19C20C21105.1°106.4°
C19C20C32122.1°119.7°
C21C20C32132.8°133.9°
C20C21H13124.8°126.1°
C18C17C16122.8°120.8°
C18C17H23118.6°119.6°
C17C18H24122.4°119.9°
C20C32C16115.5°119.5°
C20C32H19122.3°120.3°
C17C16C32122.1°120.3°
C17C16O15116.1°119.9°
C16C17H23118.6°119.6°
C32C16O15121.8°119.8°
C16C32H19122.3°120.2°
C16O15C13112.8°117.0°
C1C2C4115.2°109.4°
C1C2C3105.4°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C1C2H4108.2°109.5°
O15C13C4108.6°109.5°
O15C13C33106.0°109.5°
O15C13H12110.6°109.5°
C4C13C33112.8°109.5°
C13C4C2113.6°109.5°
C13C4N6111.2°109.5°
C4C13H12109.2°109.5°
C13C4H22106.7°109.5°
C13C33C38119.1°120.0°
C13C33C34121.3°120.0°
C33C13H12109.7°109.4°
C4C2C3111.6°109.4°
C2C4N6110.8°109.5°
C4C2H4108.0°109.5°
C2C4H22106.7°109.5°
C3C2H4108.2°109.5°
C2C3H5109.5°109.5°
C2C3H6109.5°109.5°
C2C3H7109.5°109.5°
C4N6C7121.9°120.0°
C4N6H8119.0°120.0°
N6C4H22107.5°109.5°
C38C33C34119.7°120.0°
C33C38C37120.4°120.0°
C33C38H28119.8°120.0°
C33C34C35119.7°119.9°
C33C34H20120.2°120.0°
C38C37C36120.0°120.0°
C38C37H27120.0°120.0°
C37C38H28119.8°120.0°
C34C35C36120.8°120.0°
C35C34H20120.2°120.0°
C34C35H21119.6°120.0°
C37C36C35119.4°120.0°
C37C36H26120.3°120.0°
C36C37H27120.0°120.0°
C36C35H21119.6°120.0°
C35C36H26120.3°120.0°
N6C7O8123.2°120.0°
N6C7C9116.0°120.0°
C7N6H8119.1°120.0°
O8C7C9120.8°120.0°
C7C9C10109.6°109.5°
C7C9F11117.3°109.5°
C7C9F12108.5°109.5°
C10C9F11109.0°109.5°
C10C9F12106.8°109.5°
C9C10H9109.5°109.5°
C9C10H10109.5°109.5°
C9C10H11109.5°109.4°
F11C9F12105.1°109.5°
H1C1H2109.4°109.5°
H1C1H3109.5°109.4°
H2C1H3109.5°109.5°
H5C3H6109.5°109.5°
H5C3H7109.5°109.5°
H6C3H7109.5°109.4°
H9C10H10109.4°109.5°
H9C10H11109.4°109.5°
H10C10H11109.5°109.5°
H14C27H15109.4°109.5°
H14C27H16109.5°109.5°
H15C27H16109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O29C28C30N26179.9°179.8°
O29C28N26C272.0°0.0°
O29C28C30C31178.4°180.0°
O29C28N26C25176.0°180.0°
O29C28C30H171.6°0.1°
C30C28N26C27178.1°179.8°
C28C30C31H17180.0°179.9°
C30C28N26C254.0°0.2°
C28C30C31C240.9°0.0°
C28C30C31H18179.1°179.9°
C28N26C27C25174.2°180.0°
N26C28C30C311.6°0.2°
C28N26C25C243.9°0.0°
C28N26C27H14180.0°90.1°
C28N26C27H1560.0°29.9°
C28N26C27H1660.0°150.0°
N26C28C30H17178.3°179.7°
C28N26C25H25176.1°180.0°
C27N26C25C24177.8°180.0°
N26C27H14H15120.0°120.0°
N26C27H14H16120.0°119.9°
N26C27H15H16120.0°120.0°
C27N26C25H252.2°0.0°
C30C31C24H18180.0°180.0°
C30C31C24C251.2°0.2°
C30C31C24N23172.9°180.0°
N26C25C24C311.1°0.3°
N26C25C24H25180.0°180.0°
N26C25C24N23175.1°180.0°
C25N26C27H145.8°90.0°
C25N26C27H15125.8°150.0°
C25N26C27H16114.2°30.0°
C31C24C25N23174.0°179.8°
C31C24N23N22108.6°142.9°
C31C24N23C1958.8°37.5°
C24C31C30H17179.1°180.0°
C31C24C25H25178.9°179.8°
C25C24N23N2265.3°36.9°
C25C24N23C19127.3°142.8°
C25C24C31H18178.7°179.7°
C24N23N22C19169.5°179.7°
C24N23N22C21168.3°180.0°
C24N23C19C1812.7°0.2°
C24N23C19C20167.2°180.0°
N23C24C31H187.1°0.0°
N23C24C25H254.9°0.0°
N22N23C19C18178.8°179.9°
N22N23C19C201.3°0.3°
N23N22C21C200.6°0.2°
N23N22C21H13179.5°179.8°
C19N23N22C211.2°0.3°
N23C19C18C20179.9°179.9°
N23C19C20C210.9°0.1°
N23C19C18C17180.0°180.0°
N23C19C20C32179.7°179.9°
N23C19C18H240.0°0.2°
N22C21C20C190.2°0.1°
N22C21C20H13180.0°180.0°
N22C21C20C32178.8°179.7°
C18C19C20C21179.2°180.0°
C19C18C17H24180.0°179.8°
C18C19C20C320.4°0.2°
C19C18C17C160.9°0.1°
C19C18C17H23179.2°180.0°
C19C20C21C32178.6°179.7°
C20C19C18C170.1°0.2°
C19C20C32C160.3°0.0°
C19C20C21H13179.8°180.0°
C19C20C32H19179.7°180.0°
C20C19C18H24179.9°180.0°
C21C20C32C16178.1°179.7°
C21C20C32H191.9°0.3°
C18C17C16H23180.0°179.9°
C18C17C16C321.6°0.3°
C18C17C16O15179.1°180.0°
C20C32C16C171.2°0.3°
C20C32C16H19180.0°180.0°
C20C32C16O15179.5°180.0°
C32C20C21H131.2°0.3°
C17C16C32O15179.3°179.7°
C17C16O15C13165.8°4.1°
C17C16C32H19178.8°179.7°
C16C17C18H24179.1°179.7°
C32C16O15C1314.9°176.2°
C32C16C17H23178.4°179.8°
C16O15C13C4142.0°155.3°
C16O15C13C3396.6°84.6°
C16O15C13H1222.3°35.3°
O15C16C32H190.5°0.0°
O15C16C17H230.9°0.1°
C1C2C4C1352.6°175.1°
C1C2C4C3120.1°120.0°
C1C2C4H4121.0°120.0°
C1C2C3H4115.6°120.1°
C1C2C4N6178.5°64.9°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C1C2C3H5180.0°60.0°
C1C2C3H660.0°180.0°
C1C2C3H760.0°60.1°
C1C2C4H2264.7°55.2°
O15C13C4C33117.2°120.0°
O15C13C4H12120.6°120.0°
O15C13C33H12119.4°120.0°
O15C13C4C278.8°56.5°
O15C13C4N6155.3°176.5°
O15C13C33C38133.9°145.0°
O15C13C33C3444.8°34.7°
O15C13C4H2238.4°63.5°
C4C13C33H12121.9°120.0°
C13C4C2N6126.0°120.0°
C13C4C2H22117.2°120.0°
C13C4C2C3172.7°64.9°
C13C4N6H22116.5°120.0°
C4C13C33C38107.5°95.0°
C4C13C33C3473.8°85.3°
C13C4N6C7120.1°154.9°
C13C4C2H468.5°55.1°
C13C4N6H859.9°24.9°
C33C13C4C2164.0°176.5°
C33C13C4N638.2°63.5°
C13C33C38C34178.7°179.7°
C13C33C38C37179.1°179.8°
C13C33C34C35178.4°180.0°
C13C33C34H201.6°0.0°
C33C13C4H2278.8°56.6°
C13C33C38H280.9°0.0°
C4C2C3H4118.7°120.0°
C2C4N6H22116.2°120.0°
C2C4N6C7112.6°85.1°
C4C2C1H1180.0°66.6°
C4C2C1H260.0°173.4°
C4C2C1H360.0°53.4°
C4C2C3H554.3°59.9°
C4C2C3H6174.3°60.1°
C4C2C3H765.7°180.0°
C2C4N6H867.4°95.1°
C2C4C13H1241.8°63.5°
C3C2C4N661.3°55.1°
C3C2C1H156.5°53.3°
C3C2C1H2176.5°66.7°
C3C2C1H363.5°173.3°
C2C3H5H6120.0°120.0°
C2C3H5H7120.0°120.0°
C2C3H6H7120.0°119.9°
C3C2C4H2255.4°175.1°
C4N6C7H8180.0°179.9°
C4N6C7O817.1°0.0°
C4N6C7C9162.0°180.0°
N6C4C2H457.5°175.1°
N6C4C13H1284.1°56.5°
C33C38C37H28180.0°179.8°
C38C33C34C350.3°0.3°
C33C38C37C361.0°0.5°
C38C33C13H1214.4°25.0°
C38C33C34H20179.7°179.7°
C33C38C37H27179.0°179.8°
C34C33C38C370.4°0.5°
C33C34C35H20180.0°180.0°
C33C34C35C360.3°0.0°
C34C33C13H12164.3°154.7°
C33C34C35H21179.7°179.9°
C34C33C38H28179.6°179.7°
C38C37C36H27180.0°179.7°
C38C37C36C350.9°0.3°
C38C37C36H26179.1°179.8°
C34C35C36C370.3°0.0°
C34C35C36H21180.0°180.0°
C34C35C36H26179.7°180.0°
C37C36C35H26180.0°180.0°
C37C36C35H21179.7°179.9°
C36C37C38H28179.0°179.7°
C36C35C34H20179.7°180.0°
C35C36C37H27179.0°180.0°
N6C7O8C9179.1°180.0°
N6C7C9C1071.6°155.0°
N6C7C9F1153.4°85.1°
N6C7C9F12172.2°35.0°
C7N6C4H223.6°35.0°
O8C7C9C10107.5°25.0°
O8C7C9F11127.5°95.0°
O8C7C9F128.7°145.0°
O8C7N6H8162.8°179.9°
C7C9C10F11129.6°120.0°
C7C9C10F12117.3°120.0°
C7C9F11F12120.6°120.0°
C9C7N6H818.1°0.1°
C7C9C10H9180.0°60.0°
C7C9C10H1060.0°180.0°
C7C9C10H1160.0°60.0°
C10C9F11F12114.1°120.0°
C9C10H9H10120.0°120.0°
C9C10H9H11120.0°120.0°
C9C10H10H11120.0°120.0°
F11C9C10H950.4°60.0°
F11C9C10H10170.4°60.0°
F11C9C10H1169.6°180.0°
F12C9C10H962.7°180.0°
F12C9C10H1057.3°60.0°
F12C9C10H11177.3°60.0°
H1C1H2H3120.0°120.0°
H1C1C2H459.1°173.4°
H2C1C2H460.9°53.4°
H3C1C2H4179.1°66.6°
H4C2C3H564.4°180.0°
H4C2C3H655.6°59.9°
H4C2C3H7175.6°60.0°
H4C2C4H22174.3°64.9°
H5C3H6H7120.0°120.0°
H8N6C4H22176.4°144.9°
H9C10H10H11119.9°120.0°
H12C13C4H22159.0°176.5°
H14C27H15H16120.0°120.1°
H17C30C31H180.9°0.0°
H20C34C35H210.3°0.1°
H21C35C36H260.3°0.0°
H23C17C18H240.8°0.2°
H26C36C37H271.0°0.1°
H27C37C38H281.0°0.0°

222415

PDB entries from 2024-07-10

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