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MKW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C12doub1.31Å1.33ÅAromatic
N2C11sing1.34Å1.39ÅAromatic
C12C13sing1.40Å1.42ÅAromatic
C10C11doub1.40Å1.42ÅAromatic
C10C9sing1.39Å1.37ÅAromatic
C11C6sing1.42Å1.42ÅAromatic
C13O1sing1.36Å1.38Å
C13C5doub1.38Å1.38ÅAromatic
O1C14sing1.43Å1.44Å
N3N4sing1.40Å1.37ÅAromatic
N3C23sing1.34Å1.32ÅAromatic
N4C21doub1.32Å1.36ÅAromatic
C23C22doub1.38Å1.42ÅAromatic
C21C22sing1.47Å1.41ÅAromatic
C21C20sing1.41Å1.37ÅAromatic
C22C17sing1.46Å1.43ÅAromatic
C20C19doub1.36Å1.38ÅAromatic
C17C9sing1.48Å1.50Å
C17C18doub1.38Å1.40ÅAromatic
C19C18sing1.39Å1.41ÅAromatic
C9C8doub1.41Å1.39ÅAromatic
C18C24sing1.51Å1.52Å
C6C5sing1.41Å1.42ÅAromatic
C6C7doub1.40Å1.39ÅAromatic
C5N1sing1.39Å1.44Å
C14C15sing1.53Å1.51Å
C8C7sing1.36Å1.36ÅAromatic
C8CLsing1.74Å1.73Å
C15N1sing1.47Å1.47Å
C15C16sing1.52Å1.50Å
N1C4sing1.47Å1.47Å
C4C3sing1.53Å1.50Å
C16Nsing1.47Å1.47Å
NC3sing1.47Å1.48Å
NC2sing1.35Å1.34Å
C2C1sing1.51Å1.54Å
C2Odoub1.21Å1.21Å
C1Csing1.53Å1.52Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C7H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C14H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C19H13sing1.08Å1.08Å
C20H14sing1.08Å1.08Å
C24H15sing1.09Å1.10Å
C24H16sing1.09Å1.10Å
C24H17sing1.09Å1.10Å
C23H18sing1.08Å1.08Å
N3H19sing0.97Å1.00Å
C4H20sing1.09Å1.10Å
C4H21sing1.09Å1.10Å
CH22sing1.09Å1.10Å
CH23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12N2C11116.7°121.8°
N2C12C13125.7°121.8°
N2C12H7117.2°119.1°
N2C11C10118.6°120.8°
N2C11C6122.5°119.9°
C12C13O1121.6°118.8°
C12C13C5117.0°119.3°
C13C12H7117.1°119.2°
C11C10C9119.9°119.5°
C10C11C6118.9°119.2°
C11C10H6120.1°120.2°
C10C9C17119.4°119.7°
C10C9C8119.5°120.6°
C9C10H6120.0°120.2°
C11C6C5117.2°118.8°
C11C6C7119.5°120.0°
O1C13C5121.3°121.8°
C13O1C14118.8°117.0°
C13C5C6120.8°118.4°
C13C5N1120.3°121.9°
O1C14C15110.4°107.4°
O1C14H8109.2°109.8°
O1C14H9109.3°109.9°
N4N3C23106.0°109.9°
N3N4C21111.6°108.9°
N4N3H19127.0°125.1°
N3C23C22111.5°107.9°
N3C23H18124.2°126.0°
C23N3H19127.0°125.1°
N4C21C22106.4°106.7°
N4C21C20131.8°134.7°
C23C22C21104.4°106.6°
C23C22C17136.5°135.0°
C22C23H18124.3°126.1°
C22C21C20121.8°118.6°
C21C22C17119.1°118.4°
C21C20C19118.6°120.5°
C21C20H14120.7°119.7°
C22C17C9119.1°120.8°
C22C17C18119.3°118.5°
C20C19C18122.5°122.6°
C20C19H13118.7°118.7°
C19C20H14120.7°119.7°
C9C17C18121.7°120.7°
C17C9C8121.1°119.7°
C17C18C19118.7°121.3°
C17C18C24121.6°119.3°
C19C18C24119.6°119.3°
C18C19H13118.8°118.7°
C9C8C7122.1°120.7°
C9C8CL119.3°119.6°
C18C24H15109.5°109.5°
C18C24H16109.5°109.5°
C18C24H17109.5°109.5°
C5C6C7123.3°121.2°
C6C5N1118.6°119.7°
C6C7C8119.7°120.0°
C6C7H5120.1°120.0°
C5N1C15109.5°109.8°
C5N1C4114.2°108.9°
C14C15N1108.4°108.6°
C14C15C16122.1°111.2°
C15C14H8109.2°109.9°
C15C14H9109.3°109.9°
C14C15H10107.0°108.7°
C7C8CL118.1°119.7°
C8C7H5120.1°120.0°
N1C15C16103.9°111.8°
C15N1C4114.4°111.6°
N1C15H10107.6°108.6°
C15C16N112.5°109.6°
C16C15H10107.1°107.8°
C15C16H11108.7°109.4°
C15C16H12108.7°109.4°
N1C4C3114.5°110.0°
N1C4H20108.2°109.4°
N1C4H21108.2°109.4°
C4C3N112.9°108.2°
C4C3H3108.6°109.8°
C4C3H4108.6°109.7°
C3C4H20108.2°109.4°
C3C4H21108.2°109.3°
C16NC3113.8°117.6°
C16NC2130.3°121.3°
NC16H11108.7°109.5°
NC16H12108.7°109.4°
C3NC2115.2°121.2°
NC3H3108.6°109.8°
NC3H4108.6°109.7°
NC2C1121.2°120.0°
NC2O120.9°120.0°
C1C2O117.8°120.0°
C2C1C112.1°109.4°
C2C1H1108.8°109.5°
C2C1H2108.8°109.5°
CC1H1108.8°109.4°
CC1H2108.8°109.5°
C1CH22109.5°109.5°
C1CH23109.5°109.5°
C1CH24109.5°109.5°
H1C1H2109.4°109.5°
H3C3H4109.5°109.7°
H8C14H9109.4°109.8°
H11C16H12109.5°109.5°
H15C24H16109.4°109.5°
H15C24H17109.4°109.5°
H16C24H17109.5°109.4°
H20C4H21109.5°109.3°
H22CH23109.4°109.5°
H22CH24109.5°109.5°
H23CH24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C12C13H7180.0°180.0°
C12N2C11C10178.8°179.5°
C12N2C11C62.7°0.5°
N2C12C13O1179.2°179.3°
N2C12C13C52.2°0.3°
C11N2C12C130.9°0.3°
N2C11C10C6178.6°180.0°
N2C11C10C9179.1°180.0°
N2C11C6C51.3°0.0°
N2C11C6C7179.2°180.0°
N2C11C10H60.9°0.0°
C11N2C12H7179.1°179.7°
C12C13O1C5176.9°179.6°
C12C13O1C14178.5°169.3°
C12C13C5C63.6°0.7°
C12C13C5N1177.1°178.7°
C11C10C9H6180.0°180.0°
C11C10C9C17177.3°179.9°
C11C10C9C83.1°0.0°
C10C11C6C5179.8°179.9°
C10C11C6C70.7°0.0°
C9C10C11C60.6°0.0°
C10C9C17C2290.6°90.0°
C10C9C17C8179.5°179.9°
C10C9C17C1887.5°90.1°
C10C9C8C77.0°0.0°
C10C9C8CL178.9°180.0°
C11C6C5C132.1°0.6°
C11C6C5C7179.6°179.9°
C11C6C5N1175.6°178.9°
C11C6C7C83.0°0.1°
C11C6C7H5177.0°179.9°
C6C11C10H6179.4°180.0°
O1C13C5C6179.3°178.9°
O1C13C5N15.9°1.7°
C13O1C14C1531.2°41.3°
O1C13C12H70.8°0.7°
C13O1C14H8151.3°78.2°
C13O1C14H989.0°160.8°
C5C13O1C144.6°11.1°
C13C5C6N1173.6°179.5°
C13C5C6C7177.5°179.4°
C13C5N1C1534.3°25.3°
C13C5N1C495.4°97.2°
C5C13C12H7177.8°179.6°
O1C14C15H8120.1°119.5°
O1C14C15H9120.2°119.6°
O1C14C15N158.8°64.4°
O1C14C15C16179.3°172.1°
O1C14H8H9119.6°121.0°
O1C14C15H1057.0°53.6°
N4N3C23H19180.0°179.9°
N4N3C23C220.1°0.0°
N3N4C21C221.0°0.0°
N3N4C21C20179.9°180.0°
N4N3C23H18179.9°180.0°
C23N3N4C210.6°0.0°
N3C23C22H18180.0°179.9°
N3C23C22C210.7°0.0°
N3C23C22C17179.3°180.0°
N4C21C22C231.0°0.0°
N4C21C22C20179.2°180.0°
N4C21C22C17179.9°180.0°
N4C21C20C19179.7°180.0°
N4C21C20H140.3°0.0°
C21N4N3H19179.4°179.9°
C23C22C21C17178.8°180.0°
C23C22C21C20179.8°180.0°
C23C22C17C90.3°0.0°
C23C22C17C18177.9°180.0°
C22C23N3H19179.9°179.9°
C22C21C20C190.7°0.0°
C21C22C17C9178.6°180.0°
C21C22C17C180.5°0.0°
C22C21C20H14179.3°180.0°
C21C22C23H18179.3°180.0°
C20C21C22C170.9°0.0°
C21C20C19H14180.0°180.0°
C21C20C19C181.0°0.0°
C21C20C19H13179.0°179.7°
C22C17C9C18178.1°180.0°
C22C17C18C192.0°0.0°
C22C17C9C889.8°89.9°
C22C17C18C24178.2°179.8°
C17C22C23H180.7°0.0°
C20C19C18C172.4°0.0°
C20C19C18H13180.0°179.7°
C20C19C18C24178.6°179.7°
C9C17C18C19179.8°180.0°
C9C17C18C243.7°0.3°
C17C9C8C7173.4°179.9°
C17C9C8CL1.5°0.1°
C17C9C10H62.7°0.1°
C17C18C19C24176.2°179.7°
C18C17C9C892.0°90.0°
C17C18C19H13177.7°179.7°
C17C18C24H1592.0°90.3°
C17C18C24H16148.0°29.8°
C17C18C24H1728.0°149.7°
C18C19C20H14179.0°180.0°
C19C18C24H1591.9°90.0°
C19C18C24H1628.1°150.0°
C19C18C24H17148.1°30.0°
C9C8C7C67.0°0.1°
C9C8C7CL172.0°180.0°
C9C8C7H5173.0°179.9°
C8C9C10H6176.9°180.0°
C24C18C19H131.4°0.0°
C18C24H15H16120.0°120.0°
C18C24H15H17120.0°120.0°
C18C24H16H17120.0°120.0°
C5C6C7C8176.5°179.9°
C6C5N1C15152.1°155.3°
C6C5N1C478.2°82.2°
C5C6C7H53.5°0.2°
C7C6C5N14.0°1.1°
C6C7C8H5180.0°180.0°
C6C7C8CL178.9°180.0°
C5N1C15C1459.5°55.7°
C5N1C15C4129.6°120.9°
C5N1C15C16169.3°178.8°
C5N1C4C3178.1°177.9°
C5N1C15H1055.9°62.4°
C5N1C4H2057.4°57.8°
C5N1C4H2161.2°62.0°
C14C15N1C16131.2°123.1°
C14C15N1H10115.4°118.0°
C14C15C16H10123.7°119.0°
C14C15N1C470.1°65.2°
C14C15C16N59.0°71.5°
C15C14H8H9119.6°121.0°
C14C15C16H11179.5°168.4°
C14C15C16H1261.4°48.4°
CLC8C7H51.0°0.1°
N1C15C16H10113.7°119.3°
C15N1C4C350.9°60.7°
N1C15C16N63.6°50.1°
N1C15C14H8179.0°55.1°
N1C15C14H961.3°176.0°
N1C15C16H1156.9°69.9°
N1C15C16H12176.0°170.1°
C15N1C4H2069.8°179.2°
C15N1C4H21171.6°59.5°
C16C15N1C461.1°57.9°
C15C16NH11120.4°120.0°
C15C16NH12120.4°120.0°
C15C16NC356.1°50.2°
C15C16NC2133.8°129.8°
C16C15C14H860.6°68.4°
C16C15C14H959.1°52.6°
C15C16H11H12118.6°119.9°
N1C4C3H20120.7°120.2°
N1C4C3H21120.8°120.2°
N1C4C3N37.4°55.6°
N1C4C3H3157.9°175.4°
N1C4C3H483.1°64.0°
C4N1C15H10174.4°176.8°
N1C4H20H21117.8°119.8°
C4C3NC1640.5°53.0°
C4C3NH3120.5°119.7°
C4C3NH4120.5°119.7°
C4C3NC2147.8°127.0°
C4C3H3H4118.4°120.6°
C3C4H20H21117.7°119.7°
C16NC3C2171.7°180.0°
C16NC2C15.8°180.0°
C16NC2O175.9°0.1°
C16NC3H3161.0°172.8°
C16NC3H480.1°66.6°
NC16C15H10177.3°169.4°
NC16H11H12118.6°120.0°
C3NC2C1175.9°0.0°
C3NC2O5.9°180.0°
NC3H3H4118.4°120.6°
C3NC16H1164.3°69.8°
C3NC16H12176.5°170.2°
NC3C4H2083.3°175.8°
NC3C4H21158.2°64.5°
NC2C1O178.3°180.0°
NC2C1C155.2°180.0°
NC2C1H184.4°60.0°
NC2C1H234.8°60.0°
C2NC3H327.3°7.2°
C2NC3H491.7°113.4°
C2NC16H11105.8°110.2°
C2NC16H1213.3°9.8°
C2C1CH1120.4°119.9°
C2C1CH2120.4°120.0°
C2C1H1H2118.8°120.0°
C2C1CH22180.0°180.0°
C2C1CH2360.0°60.0°
C2C1CH2460.0°60.0°
OC2C1C23.1°0.0°
OC2C1H197.3°119.9°
OC2C1H2143.5°120.0°
CC1H1H2118.8°120.0°
C1CH22H23120.0°120.0°
C1CH22H24120.0°120.0°
C1CH23H24120.0°120.0°
H1C1CH2259.6°60.0°
H1C1CH23179.6°179.9°
H1C1CH2460.4°60.0°
H2C1CH2259.6°60.0°
H2C1CH2360.4°60.0°
H2C1CH24179.6°180.0°
H3C3C4H2037.2°64.4°
H3C3C4H2181.3°55.2°
H4C3C4H20156.2°56.2°
H4C3C4H2137.7°175.8°
H8C14C15H1063.2°173.0°
H9C14C15H10177.1°66.0°
H10C15C16H1156.8°49.4°
H10C15C16H1262.3°70.6°
H13C19C20H140.9°0.3°
H15C24H16H17120.0°120.0°
H18C23N3H190.1°0.1°
H22CH23H24120.0°120.0°

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PDB entries from 2024-07-17

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