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MIN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C1sing1.47Å1.43Å
N1HN11sing1.01Å1.00Å
N1HN12sing1.01Å1.00Å
C1C2sing1.53Å1.50Å
C1C6sing1.53Å1.55Å
C1H1sing1.09Å1.10Å
C2C3sing1.53Å1.51Å
C2H21Asing1.09Å1.10Å
C2H22Asing1.09Å1.10Å
C3C4sing1.53Å1.53Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C4C5sing1.53Å1.52Å
C4C7sing1.53Å1.48Å
C4H4sing1.09Å1.10Å
C5C6sing1.53Å1.52Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7N7sing1.46Å1.46Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
N7C8sing1.35Å1.35Å
N7HN7sing0.97Å1.00Å
C8O8doub1.21Å1.23Å
C8C9sing1.51Å1.53Å
C9C10sing1.55Å1.51Å
C9N9sing1.47Å1.47Å
C9H9sing1.09Å1.10Å
C10C11sing1.55Å1.50Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11C12sing1.54Å1.51Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12N9sing1.47Å1.46Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
N9C13sing1.35Å1.34Å
C13O13doub1.21Å1.24Å
C13C15sing1.51Å1.53Å
C14N13sing1.47Å1.48Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C14H143sing1.09Å1.10Å
N13C15sing1.47Å1.47Å
N13HN3sing1.01Å1.00Å
C15C16sing1.53Å1.56Å
C15H15sing1.09Å1.10Å
C16C17sing1.51Å1.52Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17C18doub1.38Å1.37ÅAromatic
C17C22sing1.38Å1.38ÅAromatic
C18C19sing1.38Å1.37ÅAromatic
C18H18sing1.08Å1.08Å
C19C20doub1.38Å1.38ÅAromatic
C19H19sing1.08Å1.08Å
C20C21sing1.38Å1.38ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.38Å1.37ÅAromatic
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1HN11109.5°111.0°
C1N1HN12109.5°110.9°
N1C1C2107.4°109.5°
N1C1C6110.8°109.4°
N1C1H1109.8°109.5°
HN11N1HN12109.4°111.0°
C2C1C6108.9°109.5°
C2C1H1111.7°109.5°
C1C2C3111.8°109.5°
C1C2H21A108.7°109.5°
C1C2H22A108.7°109.4°
C6C1H1108.3°109.5°
C1C6C5111.9°109.5°
C1C6H61108.7°109.5°
C1C6H62108.6°109.5°
C3C2H21A108.7°109.5°
C3C2H22A108.7°109.5°
C2C3C4110.1°109.5°
C2C3H31109.3°109.4°
C2C3H32109.2°109.5°
H21AC2H22A110.2°109.5°
C4C3H31109.2°109.5°
C4C3H32109.3°109.5°
C3C4C5112.8°109.5°
C3C4C7110.6°109.5°
C3C4H4105.8°109.5°
H31C3H32109.7°109.5°
C5C4C7107.7°109.5°
C5C4H4108.8°109.5°
C4C5C6107.8°109.5°
C4C5H51110.0°109.5°
C4C5H52110.0°109.5°
C7C4H4111.1°109.5°
C4C7N7112.0°109.5°
C4C7H71108.7°109.5°
C4C7H72108.6°109.5°
C6C5H51110.0°109.5°
C6C5H52110.0°109.5°
C5C6H61108.7°109.4°
C5C6H62108.7°109.5°
H51C5H52108.9°109.5°
H61C6H62110.3°109.5°
N7C7H71108.6°109.5°
N7C7H72108.6°109.5°
C7N7C8122.8°120.0°
C7N7HN7118.6°120.0°
H71C7H72110.3°109.4°
C8N7HN7118.6°120.0°
N7C8O8121.2°120.0°
N7C8C9120.6°120.0°
O8C8C9118.2°120.0°
C8C9C10110.9°110.4°
C8C9N9109.4°110.3°
C8C9H9107.5°110.4°
C10C9N9106.0°104.8°
C10C9H9110.9°110.4°
C9C10C11104.3°101.6°
C9C10H101111.2°111.0°
C9C10H102111.2°111.0°
N9C9H9112.3°110.5°
C9N9C12109.7°108.7°
C9N9C13124.1°125.7°
C11C10H101111.2°111.0°
C11C10H102111.2°111.0°
C10C11C12104.3°102.9°
C10C11H111111.2°110.7°
C10C11H112111.2°110.7°
H101C10H102107.7°110.9°
C12C11H111111.2°110.7°
C12C11H112111.2°110.7°
C11C12N9102.8°107.2°
C11C12H121111.7°109.9°
C11C12H122111.7°109.8°
H111C11H112107.6°110.8°
N9C12H121111.8°109.9°
N9C12H122111.8°109.9°
C12N9C13125.4°125.6°
H121C12H122107.1°110.0°
N9C13O13121.3°120.0°
N9C13C15121.1°120.0°
O13C13C15117.5°120.0°
C13C15N13111.0°109.5°
C13C15C16110.5°109.4°
C13C15H15107.4°109.4°
N13C14H141109.5°109.4°
N13C14H142109.4°109.5°
N13C14H143109.5°109.5°
C14N13C15119.9°111.0°
C14N13HN3106.1°111.0°
H141C14H142109.5°109.5°
H141C14H143109.5°109.5°
H142C14H143109.5°109.5°
C15N13HN3106.1°111.0°
N13C15C16108.5°109.5°
N13C15H15109.4°109.5°
C16C15H15110.0°109.5°
C15C16C17116.9°109.4°
C15C16H161107.1°109.5°
C15C16H162107.1°109.5°
C17C16H161107.1°109.5°
C17C16H162107.1°109.5°
C16C17C18119.4°120.0°
C16C17C22118.9°120.0°
H161C16H162111.8°109.5°
C18C17C22121.7°120.0°
C17C18C19119.2°120.0°
C17C18H18120.4°120.0°
C17C22C21118.8°120.0°
C17C22H22120.6°120.0°
C19C18H18120.4°120.0°
C18C19C20119.5°120.0°
C18C19H19120.3°119.9°
C20C19H19120.2°120.1°
C19C20C21120.6°120.0°
C19C20H20119.7°120.0°
C21C20H20119.7°120.0°
C20C21C22120.2°120.0°
C20C21H21119.9°120.1°
C22C21H21119.9°119.9°
C21C22H22120.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N1HN11HN12120.0°123.9°
N1C1C2C6120.0°120.0°
N1C1C2H1120.4°120.0°
N1C1C6H1120.5°120.0°
N1C1C2C3177.3°180.0°
N1C1C2H21A57.3°60.0°
N1C1C2H22A62.7°60.0°
N1C1C6C5177.1°180.0°
N1C1C6H6162.9°60.0°
N1C1C6H6257.1°60.0°
HN11N1C1C2180.0°179.9°
HN11N1C1C661.2°60.1°
HN11N1C1H158.4°59.9°
HN12N1C1C260.0°56.1°
HN12N1C1C6178.8°176.1°
HN12N1C1H161.6°63.9°
C2C1C6H1121.6°120.0°
C1C2C3H21A120.0°120.0°
C1C2C3H22A120.0°120.0°
C1C2H21AH22A119.1°120.0°
C1C2C3C456.1°60.0°
C1C2C3H31176.1°180.0°
C1C2C3H3263.9°60.0°
C2C1C6C559.2°60.0°
C2C1C6H61179.2°180.0°
C2C1C6H6260.8°60.0°
C6C1C2C357.3°60.0°
C6C1C2H21A62.7°60.0°
C6C1C2H22A177.3°180.0°
C1C6C5C458.0°60.0°
C1C6C5H61120.0°120.0°
C1C6C5H62120.0°120.0°
C1C6C5H51178.0°180.0°
C1C6C5H5262.0°60.0°
C1C6H61H62119.0°120.0°
H1C1C2C362.3°60.0°
H1C1C2H21A177.7°180.0°
H1C1C2H22A57.7°60.0°
H1C1C6C562.4°60.0°
H1C1C6H6157.6°60.0°
H1C1C6H62177.6°180.0°
C3C2H21AH22A119.1°120.0°
C2C3C4H31120.0°120.0°
C2C3C4H32120.0°120.0°
C2C3H31H32119.7°120.0°
C2C3C4C556.2°60.0°
C2C3C4C7176.8°180.0°
C2C3C4H462.7°60.0°
H21AC2C3C463.8°60.0°
H21AC2C3H3156.2°60.0°
H21AC2C3H32176.2°180.0°
H22AC2C3C4176.2°180.0°
H22AC2C3H3163.9°60.0°
H22AC2C3H3256.1°60.0°
C4C3H31H32119.7°120.0°
C3C4C5C7122.3°120.0°
C3C4C5H4117.2°120.0°
C3C4C7H4117.2°120.0°
C3C4C5C656.6°60.0°
C3C4C5H51176.6°180.0°
C3C4C5H5263.4°60.0°
C3C4C7N772.0°175.0°
C3C4C7H7148.0°55.0°
C3C4C7H72168.0°65.0°
H31C3C4C5176.2°180.0°
H31C3C4C763.2°60.0°
H31C3C4H457.3°60.0°
H32C3C4C563.8°60.0°
H32C3C4C756.8°60.0°
H32C3C4H4177.3°180.0°
C5C4C7H4119.1°120.0°
C4C5C6H51120.0°120.0°
C4C5C6H52120.0°120.0°
C4C5H51H52120.7°120.0°
C4C5C6H61178.0°180.0°
C4C5C6H6262.0°60.0°
C5C4C7N7164.3°65.0°
C5C4C7H7175.7°175.0°
C5C4C7H7244.3°55.0°
C7C4C5C6178.9°180.0°
C7C4C5H5161.2°60.0°
C7C4C5H5258.9°60.0°
C4C7N7H71120.0°120.0°
C4C7N7H72120.0°120.0°
C4C7H71H72119.0°120.0°
C4C7N7C8114.6°179.9°
C4C7N7HN765.4°0.1°
H4C4C5C660.6°60.0°
H4C4C5H5159.4°60.0°
H4C4C5H52179.4°180.0°
H4C4C7N745.2°55.0°
H4C4C7H71165.2°65.0°
H4C4C7H7274.8°175.0°
C6C5H51H52120.7°120.0°
C5C6H61H62119.0°120.0°
H51C5C6H6162.0°60.0°
H51C5C6H6258.0°60.0°
H52C5C6H6158.0°60.0°
H52C5C6H62178.0°180.0°
N7C7H71H72118.9°120.0°
C7N7C8HN7180.0°179.9°
C7N7C8O83.7°0.1°
C7N7C8C9178.3°180.0°
H71C7N7C85.4°59.9°
H71C7N7HN7174.6°119.9°
H72C7N7C8125.4°60.0°
H72C7N7HN754.6°120.1°
N7C8O8C9178.1°179.9°
N7C8C9C10115.6°93.7°
N7C8C9N9127.8°151.0°
N7C8C9H95.7°28.6°
HN7N7C8O8176.4°179.9°
HN7N7C8C91.7°0.1°
O8C8C9C1066.3°86.3°
O8C8C9N950.3°29.1°
O8C8C9H9172.4°151.5°
C8C9C10N9118.6°118.8°
C8C9C10H9119.3°122.2°
C8C9N9H9119.2°122.3°
C8C9C10C11137.0°155.8°
C8C9C10H10117.0°37.7°
C8C9C10H102103.0°86.1°
C8C9N9C12115.6°143.0°
C8C9N9C1354.4°37.1°
C10C9N9H9121.2°118.9°
C9C10C11H101120.0°118.1°
C9C10C11H102120.0°118.1°
C9C10H101H102122.1°123.9°
C9C10C11C1233.2°35.5°
C9C10C11H111153.2°153.8°
C9C10C11H11286.8°82.8°
C10C9N9C124.0°24.2°
C10C9N9C13174.0°155.9°
N9C9C10C1118.3°37.0°
N9C9C10H101101.7°81.1°
N9C9C10H102138.3°155.1°
C9N9C12C1124.3°1.1°
C9N9C12C13169.9°179.9°
C9N9C12H12195.7°120.5°
C9N9C12H122144.3°118.3°
C9N9C13O139.9°4.7°
C9N9C13C15172.0°175.3°
H9C9C10C11103.8°81.9°
H9C9C10H101136.3°160.0°
H9C9C10H10216.3°36.1°
H9C9N9C12125.1°94.7°
H9C9N9C1364.8°85.2°
C11C10H101H102122.1°123.9°
C10C11C12H111120.0°118.4°
C10C11C12H112120.0°118.3°
C10C11H111H112122.1°123.3°
C10C11C12N935.3°22.2°
C10C11C12H12184.7°97.2°
C10C11C12H122155.3°141.6°
H101C10C11C1286.8°82.6°
H101C10C11H11133.2°35.8°
H101C10C11H112153.2°159.1°
H102C10C11C12153.2°153.6°
H102C10C11H11186.8°88.1°
H102C10C11H11233.2°35.3°
C12C11H111H112122.1°123.2°
C11C12N9H121120.0°119.4°
C11C12N9H122120.0°119.4°
C11C12H121H122122.7°121.1°
C11C12N9C13165.8°179.0°
H111C11C12N9155.3°140.6°
H111C11C12H12135.3°21.2°
H111C11C12H12284.7°100.0°
H112C11C12N984.8°96.1°
H112C11C12H121155.2°144.5°
H112C11C12H12235.3°23.3°
N9C12H121H122122.7°121.2°
C12N9C13O13178.4°175.3°
C12N9C13C153.5°4.6°
H121C12N9C1374.2°59.6°
H122C12N9C1345.8°61.6°
N9C13O13C15178.1°180.0°
N9C13C15N13133.4°153.0°
N9C13C15C16106.2°86.9°
N9C13C15H1513.8°33.0°
O13C13C15N1348.4°26.9°
O13C13C15C1672.0°93.1°
O13C13C15H15168.0°147.0°
C13C15N13C1457.9°85.3°
C13C15N13C16121.6°120.0°
C13C15N13H15118.4°120.0°
C13C15N13HN362.1°38.6°
C13C15C16H15118.4°119.9°
C13C15C16C1757.0°175.0°
C13C15C16H16163.0°55.0°
C13C15C16H162177.0°65.0°
N13C14H141H142120.0°120.0°
N13C14H141H143120.0°119.9°
N13C14H142H143120.0°120.0°
C14N13C15HN3120.0°123.9°
C14N13C15C16179.5°154.7°
C14N13C15H1560.5°34.7°
H141C14H142H143120.0°120.0°
H141C14N13C15180.0°175.2°
H141C14N13HN360.0°60.9°
H142C14N13C1560.0°64.8°
H142C14N13HN360.0°59.1°
H143C14N13C1560.0°55.3°
H143C14N13HN3180.0°179.2°
N13C15C16H15119.7°120.0°
N13C15C16C17178.9°65.0°
N13C15C16H16158.9°175.0°
N13C15C16H16261.1°55.0°
HN3N13C15C1659.5°81.3°
HN3N13C15H15179.5°158.6°
C15C16C17H161120.0°120.0°
C15C16C17H162120.0°120.0°
C15C16H161H162117.0°120.0°
C15C16C17C1869.8°90.0°
C15C16C17C22109.3°90.3°
H15C15C16C1761.4°55.1°
H15C15C16H161178.6°65.0°
H15C15C16H16258.6°175.0°
C17C16H161H162117.0°120.0°
C16C17C18C22179.0°179.7°
C16C17C18C19177.2°180.0°
C16C17C18H182.8°0.1°
C16C17C22C21177.4°179.8°
C16C17C22H222.6°0.0°
H161C16C17C18170.3°30.0°
H161C16C17C2210.7°149.7°
H162C16C17C1850.2°150.0°
H162C16C17C22130.7°29.8°
C17C18C19H18180.0°179.9°
C17C18C19C201.3°0.0°
C17C18C19H19178.7°179.9°
C18C17C22C211.7°0.5°
C18C17C22H22178.3°179.7°
C22C17C18C191.8°0.3°
C22C17C18H18178.2°179.8°
C17C22C21C201.0°0.4°
C17C22C21H22180.0°179.8°
C17C22C21H21179.0°179.7°
C18C19C20H19180.0°180.0°
C18C19C20C210.7°0.0°
C18C19C20H20179.3°179.9°
H18C18C19C20178.7°180.0°
H18C18C19H191.3°0.0°
C19C20C21H20180.0°180.0°
C19C20C21C220.6°0.2°
C19C20C21H21179.4°179.9°
H19C19C20C21179.3°180.0°
H19C19C20H200.7°0.0°
C20C21C22H21180.0°179.9°
C20C21C22H22179.0°179.7°
H20C20C21C22179.4°179.9°
H20C20C21H210.6°0.0°
H21C21C22H221.1°0.1°

223532

PDB entries from 2024-08-07

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