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CM4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C1C11sing1.53Å1.58Å
C1C13sing1.51Å1.54Å
C1H1sing1.09Å1.11Å
C2O3sing1.42Å1.44Å
C2C20sing1.51Å1.52Å
C2H2sing1.09Å1.12Å
O3C4sing1.35Å1.35Å
C4C5doub1.40Å1.39ÅAromatic
C4C10sing1.38Å1.40ÅAromatic
C5C6sing1.38Å1.40ÅAromatic
C5H5sing1.08Å1.10Å
C6C7doub1.39Å1.39ÅAromatic
C6H6sing1.08Å1.10Å
C7O8sing1.36Å1.36Å
C7C9sing1.38Å1.40ÅAromatic
O8HO8sing0.97Å0.95Å
C9C10doub1.39Å1.43ÅAromatic
C9H9sing1.08Å1.10Å
C10C11sing1.51Å1.54Å
C11C12sing1.53Å1.53Å
C11H11sing1.09Å1.11Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C12H123sing1.09Å1.12Å
C13C14doub1.38Å1.40ÅAromatic
C13C19sing1.38Å1.40ÅAromatic
C14C15sing1.38Å1.41ÅAromatic
C14H14sing1.08Å1.10Å
C15C16doub1.39Å1.40ÅAromatic
C15H15sing1.08Å1.10Å
C16O17sing1.36Å1.36Å
C16C18sing1.39Å1.40ÅAromatic
O17H17sing0.97Å0.95Å
C18C19doub1.38Å1.41ÅAromatic
C18H18sing1.08Å1.10Å
C19H19sing1.08Å1.10Å
C20C21doub1.38Å1.39ÅAromatic
C20C25sing1.38Å1.40ÅAromatic
C21C22sing1.38Å1.41ÅAromatic
C21H21sing1.08Å1.10Å
C22C23doub1.39Å1.39ÅAromatic
C22H22sing1.08Å1.10Å
C23C24sing1.39Å1.39ÅAromatic
C23O26sing1.36Å1.35Å
C24C25doub1.38Å1.40ÅAromatic
C24H24sing1.08Å1.10Å
C25H25sing1.08Å1.10Å
O26C27sing1.43Å1.43Å
C27C28sing1.53Å1.53Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.11Å
C28N29sing1.47Å1.47Å
C28H281sing1.09Å1.12Å
C28H282sing1.09Å1.11Å
N29C30sing1.48Å1.47Å
N29C33sing1.47Å1.47Å
C30C31sing1.55Å1.53Å
C30H301sing1.09Å1.11Å
C30H302sing1.09Å1.12Å
C31C32sing1.55Å1.54Å
C31H311sing1.09Å1.12Å
C31H312sing1.09Å1.11Å
C32C33sing1.54Å1.53Å
C32H321sing1.09Å1.12Å
C32H322sing1.09Å1.11Å
C33H331sing1.09Å1.11Å
C33H332sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C11113.5°107.1°
C2C1C13108.5°109.9°
C2C1H1110.0°109.9°
C1C2O3106.7°109.0°
C1C2C20119.1°109.6°
C1C2H2104.6°109.6°
C11C1C13116.2°110.0°
C11C1H1101.1°109.9°
C1C11C10113.0°108.7°
C1C11C12114.4°109.6°
C1C11H11103.8°109.6°
C13C1H1106.9°110.0°
C1C13C14121.4°120.0°
C1C13C19117.6°119.9°
O3C2C20109.0°109.5°
O3C2H2115.6°109.5°
C2O3C4122.1°110.7°
C20C2H2102.1°109.6°
C2C20C21117.6°120.0°
C2C20C25125.2°119.9°
O3C4C5116.6°116.9°
O3C4C10122.3°123.9°
C5C4C10121.2°119.2°
C4C5C6120.1°120.7°
C4C5H5119.8°119.7°
C4C10C9117.9°120.2°
C4C10C11118.9°121.9°
C6C5H5120.0°119.6°
C5C6C7120.5°119.9°
C5C6H6119.8°120.0°
C7C6H6119.7°120.1°
C6C7O8118.1°120.1°
C6C7C9119.3°119.6°
O8C7C9122.6°120.2°
C7O8HO8118.1°106.8°
C7C9C10120.9°120.5°
C7C9H9118.8°119.8°
C10C9H9120.3°119.7°
C9C10C11123.2°118.0°
C10C11C12110.9°109.6°
C10C11H11107.9°109.7°
C12C11H11106.2°109.6°
C11C12H121110.4°109.5°
C11C12H122114.5°109.5°
C11C12H123110.4°109.4°
H121C12H122110.4°109.5°
H121C12H12399.8°109.5°
H122C12H123110.4°109.4°
C14C13C19120.9°120.1°
C13C14C15117.3°120.1°
C13C14H14121.2°119.9°
C13C19C18121.1°120.0°
C13C19H19119.3°119.9°
C15C14H14121.5°120.0°
C14C15C16122.1°120.0°
C14C15H15119.1°120.0°
C16C15H15118.8°120.0°
C15C16O17120.0°120.1°
C15C16C18120.2°119.9°
O17C16C18119.8°120.0°
C16O17H17120.0°106.9°
C16C18C19118.2°119.9°
C16C18H18120.4°120.1°
C19C18H18121.4°120.0°
C18C19H19119.6°120.1°
C21C20C25117.1°120.1°
C20C21C22120.5°120.1°
C20C21H21119.2°120.0°
C20C25C24123.7°120.1°
C20C25H25117.9°119.9°
C22C21H21120.3°119.9°
C21C22C23120.3°120.0°
C21C22H22120.7°120.0°
C23C22H22119.0°120.0°
C22C23C24120.6°119.8°
C22C23O26120.8°120.1°
C24C23O26118.2°120.1°
C23C24C25117.6°120.0°
C23C24H24120.8°120.0°
C23O26C27120.6°106.8°
C25C24H24121.6°120.1°
C24C25H25118.4°120.0°
O26C27C28110.5°109.5°
O26C27H271111.8°109.5°
O26C27H272111.8°109.5°
C28C27H271111.8°109.5°
C28C27H272111.8°109.4°
C27C28N29111.8°109.5°
C27C28H281111.4°109.5°
C27C28H282111.3°109.5°
H271C27H27298.6°109.5°
N29C28H281111.3°109.5°
N29C28H282111.4°109.5°
C28N29C30107.3°106.7°
C28N29C33113.7°106.7°
H281C28H28299.0°109.5°
C30N29C33105.2°108.6°
N29C30C31106.4°104.8°
N29C30H301113.4°110.4°
N29C30H302113.4°110.4°
N29C33C32103.4°107.2°
N29C33H331114.5°109.9°
N29C33H332114.5°109.9°
C31C30H301113.4°110.4°
C31C30H302113.4°110.3°
C30C31C32104.7°101.6°
C30C31H311114.0°111.0°
C30C31H312114.0°111.0°
H301C30H30297.1°110.4°
C32C31H311114.0°111.1°
C32C31H312114.0°110.9°
C31C32C33105.1°103.0°
C31C32H321113.9°110.7°
C31C32H322113.9°110.8°
H311C31H31296.5°110.9°
C33C32H321113.9°110.7°
C33C32H322113.9°110.7°
C32C33H331114.5°110.0°
C32C33H332114.5°109.8°
H321C32H32296.6°110.7°
H331C33H33296.0°110.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C11C13126.9°119.4°
C2C1C11H1117.8°119.3°
C2C1C13H1118.6°121.1°
C1C2O3C20129.9°119.9°
C1C2O3H2115.8°119.9°
C1C2C20H2114.5°120.3°
C1C2O3C450.5°59.9°
C2C1C11C1033.8°43.0°
C2C1C11C12162.0°76.7°
C2C1C11H1182.8°162.9°
C2C1C13C1497.7°97.6°
C2C1C13C1983.7°82.6°
C1C2C20C21137.5°90.2°
C1C2C20C2542.7°90.0°
C11C1C13H1112.0°121.2°
C11C1C2O352.7°70.7°
C11C1C2C2071.1°169.4°
C11C1C2H2175.7°49.1°
C1C11C10C46.6°11.6°
C1C11C10C9173.5°168.8°
C1C11C10C12130.0°119.8°
C1C11C10H11114.1°119.8°
C1C11C12H11113.8°120.4°
C1C11C12H12154.7°180.0°
C1C11C12H122180.0°59.9°
C1C11C12H12354.7°60.0°
C11C1C13C1431.7°144.6°
C11C1C13C19146.9°35.1°
C13C1C2O3176.4°48.7°
C13C1C2C2059.7°71.1°
C13C1C2H253.4°168.6°
C13C1C11C10160.7°76.4°
C13C1C11C1271.1°163.8°
C13C1C11H1144.2°43.5°
C1C13C14C19178.5°179.7°
C1C13C14C15179.7°179.8°
C1C13C14H140.3°0.3°
C1C13C19C18177.2°180.0°
C1C13C19H192.9°0.0°
H1C1C2O359.7°169.9°
H1C1C2C20176.4°50.1°
H1C1C2H263.2°70.2°
H1C1C11C1084.0°162.4°
H1C1C11C1244.2°42.6°
H1C1C11H11159.5°77.7°
H1C1C13C14143.7°23.5°
H1C1C13C1934.9°156.2°
O3C2C20H2122.8°120.2°
C2O3C4C5155.5°154.7°
C2O3C4C1025.1°25.6°
O3C2C20C2199.8°29.3°
O3C2C20C2580.0°150.5°
C20C2O3C479.4°179.8°
C2C20C21C25179.8°179.8°
C2C20C21C22178.1°179.7°
C2C20C21H211.9°0.2°
C2C20C25C24179.1°179.9°
C2C20C25H250.9°0.0°
H2C2O3C4166.3°60.0°
H2C2C20C2123.0°149.5°
H2C2C20C25157.2°30.3°
O3C4C5C10179.4°179.7°
O3C4C5C6179.7°179.4°
O3C4C5H50.3°0.6°
O3C4C10C9179.4°179.3°
O3C4C10C110.7°1.1°
C4C5C6H5180.0°180.0°
C4C5C6C71.0°0.0°
C4C5C6H6179.0°180.0°
C5C4C10C90.1°0.4°
C5C4C10C11180.0°179.2°
C10C4C5C60.9°0.3°
C10C4C5H5179.1°179.7°
C4C10C9C70.7°0.2°
C4C10C9C11179.9°179.6°
C4C10C9H9179.3°179.8°
C4C10C11C12136.6°108.2°
C4C10C11H11107.5°131.5°
C5C6C7H6180.0°179.9°
C5C6C7O8178.2°179.8°
C5C6C7C90.2°0.3°
H5C5C6C7179.0°180.0°
H5C5C6H61.0°0.1°
C6C7O8C9177.9°180.0°
C6C7O8HO8180.0°90.0°
C6C7C9C100.6°0.1°
C6C7C9H9179.4°179.8°
H6C6C7O81.8°0.1°
H6C6C7C9179.7°179.8°
O8C7C9C10177.2°179.9°
O8C7C9H92.8°0.1°
C9C7O8HO82.1°89.9°
C7C9C10H9180.0°180.0°
C7C9C10C11179.2°179.4°
C9C10C11C1243.5°71.5°
C9C10C11H1172.4°48.9°
H9C9C10C110.8°0.6°
C10C11C12H11116.9°120.4°
C10C11C12H121176.0°60.8°
C10C11C12H12250.8°59.3°
C10C11C12H12374.5°179.2°
C11C12H121H122127.6°120.0°
C11C12H121H123116.2°120.0°
C11C12H122H123125.3°120.0°
H11C11C12H12159.1°59.7°
H11C11C12H12266.2°179.7°
H11C11C12H123168.6°60.3°
H121C12H122H123109.4°120.0°
C13C14C15H14180.0°179.5°
C13C14C15C161.1°0.5°
C13C14C15H15178.9°179.7°
C14C13C19C184.2°0.3°
C14C13C19H19175.7°179.7°
C19C13C14C151.1°0.5°
C19C13C14H14178.9°180.0°
C13C19C18C165.0°0.0°
C13C19C18H19180.0°179.9°
C13C19C18H18175.0°179.9°
C14C15C16H15180.0°179.8°
C14C15C16O17179.6°179.7°
C14C15C16C180.2°0.3°
H14C14C15C16178.9°180.0°
H14C14C15H151.1°0.2°
C15C16O17C18179.4°180.0°
C15C16O17H17180.0°90.0°
C15C16C18C192.8°0.0°
C15C16C18H18177.2°179.9°
H15C15C16O170.4°0.1°
H15C15C16C18179.8°180.0°
O17C16C18C19176.6°180.0°
O17C16C18H183.4°0.1°
C18C16O17H170.6°90.0°
C16C18C19H18180.0°179.9°
C16C18C19H19175.0°180.0°
H18C18C19H195.0°0.1°
C20C21C22H21180.0°179.5°
C20C21C22C235.0°0.4°
C20C21C22H22174.9°179.7°
C21C20C25C241.1°0.3°
C21C20C25H25178.9°179.8°
C25C20C21C221.7°0.5°
C25C20C21H21178.3°180.0°
C20C25C24C230.6°0.0°
C20C25C24H25180.0°179.9°
C20C25C24H24179.4°180.0°
C21C22C23H22180.0°179.9°
C21C22C23C245.6°0.2°
C21C22C23O26178.8°179.8°
H21C21C22C23175.0°179.9°
H21C21C22H225.0°0.2°
C22C23C24O26173.3°179.9°
C22C23C24C252.8°0.1°
C22C23C24H24177.2°180.0°
C22C23O26C2715.8°0.0°
H22C22C23C24174.4°180.0°
H22C22C23O261.2°0.1°
C23C24C25H24180.0°180.0°
C23C24C25H25179.5°179.9°
C24C23O26C27157.5°180.0°
O26C23C24C25176.1°180.0°
O26C23C24H243.9°0.0°
C23O26C27C28179.0°180.0°
C23O26C27H27155.8°60.0°
C23O26C27H27253.7°60.0°
H24C24C25H250.6°0.1°
O26C27C28H271125.3°120.1°
O26C27C28H272125.2°120.0°
O26C27H271H272117.7°120.0°
O26C27C28N2970.8°60.0°
O26C27C28H281163.9°180.0°
O26C27C28H28254.5°60.0°
C28C27H271H272117.8°120.0°
C27C28N29H281125.3°120.0°
C27C28N29H282125.3°120.0°
C27C28H281H282117.2°120.0°
C27C28N29C30179.0°64.0°
C27C28N29C3365.1°180.0°
H271C27C28N2954.5°60.0°
H271C27C28H28170.8°60.0°
H271C27C28H282179.7°180.0°
H272C27C28N29163.9°180.0°
H272C27C28H28138.7°60.0°
H272C27C28H28270.8°60.0°
N29C28H281H282117.2°120.0°
C28N29C30C33121.3°114.7°
C28N29C30C31154.7°138.8°
C28N29C30H30180.0°19.9°
C28N29C30H30229.4°102.4°
C28N29C33C32156.9°115.6°
C28N29C33H33131.6°124.9°
C28N29C33H33277.9°3.7°
H281C28N29C3053.7°176.0°
H281C28N29C33169.6°60.0°
H282C28N29C3055.8°55.9°
H282C28N29C3360.1°60.0°
N29C30C31H301125.3°118.9°
N29C30C31H302125.3°118.9°
N29C30H301H302119.3°122.4°
N29C30C31C3213.2°37.1°
N29C30C31H311112.1°81.1°
N29C30C31H312138.4°155.1°
C30N29C33C3239.8°0.9°
C30N29C33H33185.5°120.4°
C30N29C33H332165.0°118.4°
C33N29C30C3133.4°24.1°
C33N29C30H301158.6°94.8°
C33N29C30H30291.9°142.9°
N29C33C32C3130.9°22.4°
N29C33C32H331125.2°119.5°
N29C33C32H332125.2°119.4°
N29C33C32H32194.3°140.7°
N29C33C32H322156.2°96.1°
N29C33H331H332120.4°121.1°
C31C30H301H302119.3°122.2°
C30C31C32H311125.3°118.2°
C30C31C32H312125.2°118.0°
C30C31H311H312119.9°123.9°
C30C31C32C3310.8°35.7°
C30C31C32H321114.4°154.1°
C30C31C32H322136.1°82.7°
H301C30C31C32138.4°81.7°
H301C30C31H31113.2°160.1°
H301C30C31H31296.3°36.2°
H302C30C31C32112.1°156.0°
H302C30C31H311122.6°37.8°
H302C30C31H31213.1°86.0°
C32C31H311H312119.9°123.8°
C31C32C33H321125.2°118.3°
C31C32C33H322125.3°118.5°
C31C32H321H322119.8°123.3°
C31C32C33H33194.3°97.1°
C31C32C33H332156.1°141.7°
H311C31C32C33136.1°82.5°
H311C31C32H32110.8°35.9°
H311C31C32H32298.6°159.1°
H312C31C32C33114.4°153.8°
H312C31C32H321120.3°87.9°
H312C31C32H32210.9°35.4°
C33C32H321H322119.8°123.2°
C32C33H331H332120.4°121.0°
H321C32C33H331140.4°21.2°
H321C32C33H33230.9°99.9°
H322C32C33H33131.0°144.4°
H322C32C33H33278.6°23.3°

226262

PDB entries from 2024-10-16

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