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4WE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14N13doub1.33Å1.32ÅAromatic
C14C15sing1.38Å1.38ÅAromatic
N13C12sing1.32Å1.33ÅAromatic
F16C15sing1.35Å1.35Å
C15C10doub1.40Å1.40ÅAromatic
C12N17sing1.39Å1.38Å
C12N11doub1.32Å1.32ÅAromatic
N17C18sing1.39Å1.40Å
C10N11sing1.33Å1.35ÅAromatic
C10C9sing1.48Å1.48Å
C8C9doub1.36Å1.37ÅAromatic
C8N7sing1.34Å1.33ÅAromatic
C18C19doub1.39Å1.41ÅAromatic
C18C23sing1.39Å1.40ÅAromatic
C9N4sing1.38Å1.39ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
N7C5doub1.31Å1.30ÅAromatic
C23C22doub1.38Å1.38ÅAromatic
C20C21doub1.40Å1.41ÅAromatic
N4C5sing1.35Å1.36ÅAromatic
N4C2sing1.47Å1.49Å
C5C6sing1.51Å1.51Å
C2C1sing1.53Å1.54Å
C2C3sing1.53Å1.53Å
C22C21sing1.40Å1.41ÅAromatic
C21C24sing1.48Å1.49Å
C24N26sing1.35Å1.37Å
C24O25doub1.22Å1.23Å
N26C27sing1.47Å1.48Å
C27C28sing1.53Å1.53Å
C28N29sing1.47Å1.47Å
N29C30sing1.47Å1.47Å
N29C34sing1.47Å1.48Å
C30C31sing1.53Å1.53Å
C34C33sing1.53Å1.53Å
C31C32sing1.53Å1.53Å
C33C32sing1.53Å1.52Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C8H11sing1.08Å1.08Å
C19H12sing1.08Å1.08Å
C23H13sing1.08Å1.08Å
C27H14sing1.09Å1.10Å
C27H15sing1.09Å1.10Å
C30H16sing1.09Å1.10Å
C30H17sing1.09Å1.10Å
C31H18sing1.09Å1.10Å
C31H19sing1.09Å1.10Å
C32H20sing1.09Å1.10Å
C32H21sing1.09Å1.10Å
C33H22sing1.09Å1.10Å
C33H23sing1.09Å1.10Å
C34H24sing1.09Å1.10Å
C34H25sing1.09Å1.10Å
C14H26sing1.08Å1.08Å
N17H27sing0.97Å1.00Å
C20H28sing1.08Å1.08Å
C22H29sing1.08Å1.08Å
N26H30sing0.97Å1.00Å
C28H31sing1.09Å1.10Å
C28H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N13C14C15120.4°119.2°
C14N13C12120.5°121.0°
N13C14H26119.8°120.4°
C14C15F16118.7°120.7°
C14C15C10118.6°118.4°
C15C14H26119.8°120.4°
N13C12N17116.1°119.1°
N13C12N11121.1°121.8°
F16C15C10122.7°120.8°
C15C10N11117.1°118.9°
C15C10C9122.8°120.5°
N17C12N11122.7°119.1°
C12N17C18129.6°120.0°
C12N17H27115.2°120.0°
C12N11C10122.2°120.6°
N17C18C19115.4°119.9°
N17C18C23126.1°119.9°
C18N17H27115.2°120.0°
N11C10C9120.1°120.6°
C10C9C8125.9°126.8°
C10C9N4128.1°126.8°
C9C8N7108.6°107.8°
C8C9N4106.0°106.5°
C9C8H11125.7°126.1°
C8N7C5109.0°109.6°
N7C8H11125.7°126.0°
C19C18C23118.5°120.1°
C18C19C20121.2°120.1°
C18C19H12119.4°119.9°
C18C23C22120.4°120.1°
C18C23H13119.8°120.0°
C9N4C5106.1°107.1°
C9N4C2126.9°126.5°
C19C20C21120.6°119.9°
C20C19H12119.4°120.0°
C19C20H28119.7°120.1°
N7C5N4110.2°109.0°
N7C5C6122.9°125.5°
C23C22C21121.5°119.9°
C22C23H13119.8°119.9°
C23C22H29119.3°120.1°
C20C21C22117.8°119.8°
C20C21C24122.5°120.1°
C21C20H28119.7°120.0°
C5N4C2127.0°126.4°
N4C5C6126.9°125.5°
N4C2C1110.0°109.4°
N4C2C3112.1°109.5°
N4C2H4107.8°109.5°
C5C6H8109.5°109.5°
C5C6H9109.5°109.5°
C5C6H10109.5°109.5°
C1C2C3112.2°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.4°109.4°
C1C2H4107.2°109.5°
C3C2H4107.3°109.5°
C2C3H5109.5°109.5°
C2C3H6109.5°109.5°
C2C3H7109.5°109.5°
C22C21C24119.6°120.1°
C21C22H29119.3°120.0°
C21C24N26122.0°120.0°
C21C24O25117.3°120.0°
N26C24O25120.6°120.0°
C24N26C27123.9°120.0°
C24N26H30118.0°120.0°
N26C27C28115.6°109.4°
N26C27H14107.9°109.4°
N26C27H15107.9°109.4°
C27N26H30118.1°120.0°
C27C28N29113.5°109.5°
C28C27H14107.9°109.5°
C28C27H15107.9°109.5°
C27C28H31108.5°109.5°
C27C28H32108.5°109.5°
C28N29C30107.0°111.0°
C28N29C34114.1°111.0°
N29C28H31108.4°109.4°
N29C28H32108.4°109.5°
C30N29C34111.4°111.2°
N29C30C31110.0°109.5°
N29C30H16109.3°109.5°
N29C30H17109.4°109.4°
N29C34C33109.0°109.5°
N29C34H24109.6°109.5°
N29C34H25109.6°109.5°
C30C31C32109.6°109.3°
C31C30H16109.4°109.5°
C31C30H17109.3°109.4°
C30C31H18109.4°109.5°
C30C31H19109.4°109.4°
C34C33C32107.7°109.3°
C34C33H22109.9°109.5°
C34C33H23109.9°109.6°
C33C34H24109.6°109.5°
C33C34H25109.6°109.5°
C31C32C33106.6°109.2°
C32C31H18109.4°109.6°
C32C31H19109.4°109.5°
C31C32H20110.2°109.5°
C31C32H21110.2°109.5°
C33C32H20110.2°109.5°
C33C32H21110.2°109.6°
C32C33H22109.9°109.5°
C32C33H23109.9°109.5°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H5C3H6109.4°109.5°
H5C3H7109.5°109.5°
H6C3H7109.5°109.4°
H8C6H9109.5°109.5°
H8C6H10109.5°109.4°
H9C6H10109.4°109.5°
H14C27H15109.5°109.6°
H16C30H17109.5°109.4°
H18C31H19109.5°109.5°
H20C32H21109.5°109.5°
H22C33H23109.5°109.5°
H24C34H25109.5°109.5°
H31C28H32109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N13C14C15H26180.0°179.9°
N13C14C15F16180.0°180.0°
N13C14C15C101.4°0.3°
C14N13C12N17177.9°180.0°
C14N13C12N110.0°0.2°
C15C14N13C121.1°0.1°
C14C15F16C10178.6°179.7°
C14C15C10N110.5°0.3°
C14C15C10C9179.8°180.0°
N13C12N17N11177.9°179.8°
N13C12N17C18175.0°5.2°
N13C12N11C100.8°0.3°
C12N13C14H26178.9°180.0°
N13C12N17H274.9°174.9°
F16C15C10N11179.1°180.0°
F16C15C10C91.6°0.3°
F16C15C14H260.0°0.1°
C15C10N11C120.6°0.0°
C15C10N11C9179.3°179.8°
C15C10C9C826.8°137.2°
C15C10C9N4154.9°42.9°
C10C15C14H26178.7°179.8°
C12N17C18H27180.0°180.0°
N17C12N11C10178.6°180.0°
C12N17C18C19166.6°33.5°
C12N17C18C2316.1°146.1°
N11C12N17C187.1°174.6°
C12N11C10C9178.8°179.7°
N11C12N17H27172.9°5.4°
N17C18C19C23177.5°179.6°
N17C18C19C20178.9°179.7°
N17C18C23C22178.6°179.7°
N17C18C19H121.2°0.3°
N17C18C23H131.4°0.3°
N11C10C9C8152.5°43.1°
N11C10C9N425.8°136.8°
C10C9C8N4178.6°179.9°
C10C9C8N7179.8°179.9°
C10C9N4C5179.7°179.9°
C10C9N4C23.2°0.1°
C10C9C8H110.3°0.0°
C9C8N7H11180.0°180.0°
C9C8N7C50.8°0.2°
C8C9N4C51.1°0.2°
C8C9N4C2178.2°179.8°
N7C8C9N41.2°0.0°
C8N7C5N40.0°0.3°
C8N7C5C6179.5°180.0°
C18C19C20H12180.0°180.0°
C19C18C23C221.4°0.1°
C18C19C20C210.4°0.0°
C19C18C23H13178.6°180.0°
C19C18N17H2713.4°146.4°
C18C19C20H28179.6°179.9°
C23C18C19C201.3°0.1°
C18C23C22H13180.0°179.9°
C18C23C22C210.3°0.0°
C23C18C19H12178.7°179.9°
C23C18N17H27163.9°33.9°
C18C23C22H29179.7°179.9°
C9N4C5N70.7°0.3°
C9N4C5C2177.1°180.0°
C9N4C5C6179.7°180.0°
C9N4C2C1114.8°124.8°
C9N4C2C3119.6°115.2°
C9N4C2H41.7°4.8°
N4C9C8H11178.9°180.0°
C19C20C21H28180.0°179.9°
C19C20C21C222.0°0.1°
C19C20C21C24177.7°180.0°
N7C5N4C6179.5°179.7°
N7C5N4C2177.8°179.7°
N7C5C6H80.0°85.1°
N7C5C6H9120.0°34.9°
N7C5C6H10120.0°154.9°
C5N7C8H11179.3°179.8°
C23C22C21C202.0°0.0°
C23C22C21H29180.0°180.0°
C23C22C21C24177.8°179.9°
C20C21C22C24175.8°179.9°
C20C21C24N268.1°180.0°
C20C21C24O25168.6°0.1°
C21C20C19H12179.6°180.0°
C20C21C22H29178.0°180.0°
C5N4C2C161.6°55.2°
C5N4C2C363.9°64.8°
C5N4C2H4178.2°175.2°
N4C5C6H8179.5°95.2°
N4C5C6H959.4°144.8°
N4C5C6H1060.5°24.8°
C2N4C5C62.7°0.0°
N4C2C1C3125.5°120.0°
N4C2C1H4116.9°120.0°
N4C2C3H4118.2°120.0°
N4C2C1H1180.0°180.0°
N4C2C1H260.0°60.0°
N4C2C1H360.0°60.0°
N4C2C3H5180.0°66.0°
N4C2C3H660.0°54.0°
N4C2C3H760.0°173.9°
C5C6H8H9120.0°120.0°
C5C6H8H10120.0°120.0°
C5C6H9H10120.0°120.0°
C1C2C3H4117.5°120.0°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C1C2C3H555.7°53.9°
C1C2C3H664.3°174.0°
C1C2C3H7175.7°66.1°
C3C2C1H154.4°60.0°
C3C2C1H2174.5°180.0°
C3C2C1H365.5°60.0°
C2C3H5H6120.0°120.0°
C2C3H5H7120.0°120.0°
C2C3H6H7120.0°120.0°
C22C21C24N26176.3°0.1°
C22C21C24O257.0°180.0°
C21C22C23H13179.7°180.0°
C22C21C20H28178.0°180.0°
C21C24N26O25176.6°179.9°
C21C24N26C27175.6°179.9°
C24C21C20H282.3°0.2°
C24C21C22H292.3°0.1°
C21C24N26H304.4°0.1°
C24N26C27H30180.0°180.0°
C24N26C27C28105.8°180.0°
C24N26C27H1415.0°60.0°
C24N26C27H15133.3°60.0°
O25C24N26C271.0°0.0°
O25C24N26H30179.0°180.0°
N26C27C28H14120.9°119.9°
N26C27C28H15120.9°119.9°
N26C27C28N2966.9°180.0°
N26C27H14H15117.2°120.0°
N26C27C28H31172.5°60.0°
N26C27C28H3253.7°60.0°
C27C28N29H31120.6°120.0°
C27C28N29H32120.6°120.1°
C27C28N29C30169.8°170.0°
C27C28N29C3466.5°65.8°
C28C27H14H15117.2°120.1°
C28C27N26H3074.1°0.0°
C27C28H31H32118.2°120.0°
C28N29C30C34125.3°124.1°
C28N29C30C31177.0°174.2°
C28N29C34C33178.1°174.1°
N29C28C27H1454.0°60.1°
N29C28C27H15172.2°60.0°
C28N29C30H1662.9°54.1°
C28N29C30H1757.0°65.8°
C28N29C34H2458.2°65.9°
C28N29C34H2561.9°54.1°
N29C28H31H32118.1°120.0°
N29C30C31H16120.1°120.1°
N29C30C31H17120.1°120.0°
C30N29C34C3360.6°61.7°
N29C30C31C3258.3°59.1°
N29C30H16H17119.8°119.9°
N29C30C31H18178.3°179.2°
N29C30C31H1961.7°60.8°
C30N29C34H24179.5°58.3°
C30N29C34H2559.3°178.3°
C30N29C28H3169.5°70.0°
C30N29C28H3249.2°50.0°
C34N29C30C3157.7°61.7°
N29C34C33H24119.9°120.0°
N29C34C33H25119.9°120.0°
N29C34C33C3263.6°59.1°
C34N29C30H1662.4°178.2°
C34N29C30H17177.7°58.2°
N29C34C33H2256.1°179.1°
N29C34C33H23176.7°60.8°
N29C34H24H25120.2°120.0°
C34N29C28H3154.1°54.2°
C34N29C28H32172.9°174.2°
C30C31C32H18120.0°120.0°
C30C31C32H19120.0°119.9°
C30C31C32C3361.4°57.6°
C31C30H16H17119.8°120.0°
C30C31H18H19119.9°120.0°
C30C31C32H2058.1°62.3°
C30C31C32H21179.0°177.6°
C34C33C32C3163.8°57.6°
C34C33C32H22119.7°120.0°
C34C33C32H23119.7°120.0°
C34C33C32H2055.8°62.3°
C34C33C32H21176.7°177.6°
C34C33H22H23120.8°120.1°
C33C34H24H25120.2°120.0°
C31C32C33H20119.6°119.9°
C31C32C33H21119.6°120.0°
C32C31C30H1661.8°179.2°
C32C31C30H17178.4°60.8°
C32C31H18H19119.9°120.2°
C31C32H20H21121.3°120.1°
C31C32C33H2256.0°177.6°
C31C32C33H23176.5°62.4°
C33C32C31H18178.6°177.6°
C33C32C31H1958.6°62.3°
C33C32H20H21121.3°120.2°
C32C33H22H23120.8°120.0°
C32C33C34H24176.4°60.9°
C32C33C34H2556.3°179.1°
H1C1H2H3120.0°120.0°
H1C1C2H463.1°60.0°
H2C1C2H457.0°60.0°
H3C1C2H4176.9°180.0°
H4C2C3H561.8°174.0°
H4C2C3H6178.2°66.0°
H4C2C3H758.2°53.9°
H5C3H6H7120.0°120.0°
H8C6H9H10120.0°120.0°
H12C19C20H280.4°0.1°
H13C23C22H290.3°0.0°
H14C27N26H30165.0°120.0°
H14C27C28H3166.6°180.0°
H14C27C28H32174.5°60.0°
H15C27N26H3046.7°120.0°
H15C27C28H3151.6°59.9°
H15C27C28H3267.2°179.9°
H16C30C31H1858.2°60.8°
H16C30C31H19178.2°59.3°
H17C30C31H1861.6°59.2°
H17C30C31H1958.4°179.2°
H18C31C32H2061.9°57.6°
H18C31C32H2159.0°62.4°
H19C31C32H20178.1°177.8°
H19C31C32H2161.0°57.8°
H20C32C33H22175.5°57.7°
H20C32C33H2363.9°177.7°
H21C32C33H2263.6°62.4°
H21C32C33H2357.0°57.6°
H22C33C34H2463.8°59.1°
H22C33C34H25176.0°60.9°
H23C33C34H2456.7°179.2°
H23C33C34H2563.4°59.2°

222415

PDB entries from 2024-07-10

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