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66X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N2sing1.47Å1.47Å
N2C3sing1.38Å1.39Å
C3N4doub1.32Å1.33ÅAromatic
C3N8sing1.32Å1.33ÅAromatic
N4C5sing1.33Å1.33ÅAromatic
N8C7doub1.33Å1.33ÅAromatic
C5C6doub1.38Å1.39ÅAromatic
C7C6sing1.40Å1.40ÅAromatic
C7N9sing1.38Å1.38Å
C10N9sing1.49Å1.47Å
C10C11sing1.55Å1.54Å
N9C14sing1.48Å1.46Å
C11C12sing1.55Å1.55Å
C14C12sing1.54Å1.53Å
C12N15sing1.47Å1.47Å
N15C16sing1.35Å1.35Å
O17C16doub1.22Å1.23Å
C16N18sing1.35Å1.37Å
N18C19sing1.40Å1.42Å
C19C31doub1.39Å1.40ÅAromatic
C19C20sing1.39Å1.40ÅAromatic
C31C30sing1.38Å1.40ÅAromatic
C20C21doub1.38Å1.38ÅAromatic
F33C32sing1.40Å1.40Å
C30C32sing1.51Å1.52Å
C30C22doub1.38Å1.41ÅAromatic
F34C32sing1.40Å1.40Å
C32F35sing1.40Å1.40Å
C21C22sing1.38Å1.40ÅAromatic
C22C23sing1.51Å1.52Å
C23N24sing1.47Å1.47Å
N24C25sing1.47Å1.48Å
N24C29sing1.47Å1.48Å
C25C26sing1.53Å1.54Å
C29C28sing1.53Å1.53Å
C26O27sing1.43Å1.43Å
C28O27sing1.43Å1.43Å
C14H1sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C5H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
N2H10sing0.97Å1.00Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
N15H14sing0.97Å1.00Å
N18H15sing0.97Å1.00Å
C20H16sing1.08Å1.08Å
C21H17sing1.08Å1.08Å
C23H18sing1.09Å1.10Å
C23H19sing1.09Å1.10Å
C25H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C26H23sing1.09Å1.10Å
C26H24sing1.09Å1.10Å
C28H25sing1.09Å1.10Å
C28H26sing1.09Å1.10Å
C29H27sing1.09Å1.10Å
C29H28sing1.09Å1.10Å
C31H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N2C3121.1°120.0°
C1N2H10106.5°120.0°
N2C1H11109.5°109.4°
N2C1H12109.5°109.5°
N2C1H13109.5°109.5°
N2C3N4119.8°119.2°
N2C3N8119.2°119.1°
C3N2H10106.5°120.1°
N4C3N8120.9°121.7°
C3N4C5120.9°120.9°
C3N8C7121.6°120.6°
N4C5C6119.7°119.2°
N4C5H3120.1°120.4°
N8C7C6118.9°119.0°
N8C7N9119.0°120.5°
C5C6C7118.1°118.5°
C6C5H3120.1°120.3°
C5C6H4121.0°120.7°
C6C7N9122.1°120.5°
C7C6H4121.0°120.8°
C7N9C10125.9°111.0°
C7N9C14125.4°111.0°
N9C10C11105.3°103.2°
C10N9C14108.7°105.8°
N9C10H7110.5°110.7°
N9C10H8110.5°110.7°
C10C11C12101.7°103.0°
C10C11H5111.3°110.7°
C10C11H6111.4°110.9°
C11C10H7110.5°110.7°
C11C10H8110.5°110.7°
N9C14C12107.3°107.1°
N9C14H1110.0°109.9°
N9C14H2110.0°110.1°
C11C12C14101.3°105.1°
C11C12N15112.1°110.3°
C12C11H5111.4°110.8°
C12C11H6111.4°110.7°
C11C12H9110.6°110.3°
C14C12N15109.7°110.3°
C12C14H1110.0°109.9°
C12C14H2110.0°109.9°
C14C12H9110.9°110.3°
C12N15C16120.0°120.0°
N15C12H9111.8°110.4°
C12N15H14120.0°120.0°
N15C16O17118.7°120.0°
N15C16N18118.8°120.0°
C16N15H14120.0°120.0°
O17C16N18122.6°120.0°
C16N18C19124.8°120.0°
C16N18H15117.6°120.0°
N18C19C31125.4°120.1°
N18C19C20116.4°120.1°
C19N18H15117.6°120.0°
C31C19C20118.2°119.9°
C19C31C30121.3°119.9°
C19C31H29119.3°120.1°
C19C20C21121.0°119.9°
C19C20H16119.5°120.0°
C31C30C32119.0°119.9°
C31C30C22119.6°120.1°
C30C31H29119.3°120.1°
C20C21C22121.2°120.1°
C21C20H16119.5°120.0°
C20C21H17119.4°120.0°
F33C32C30112.6°109.4°
F33C32F34108.3°109.4°
F33C32F35107.1°109.5°
C32C30C22121.3°119.9°
C30C32F34107.1°109.5°
C30C32F35112.1°109.5°
C30C22C21118.6°120.1°
C30C22C23121.8°120.0°
F34C32F35109.6°109.5°
C21C22C23119.7°119.9°
C22C21H17119.4°120.0°
C22C23N24114.2°109.5°
C22C23H18108.3°109.4°
C22C23H19108.3°109.5°
C23N24C25111.2°111.0°
C23N24C29110.5°111.0°
N24C23H18108.3°109.5°
N24C23H19108.3°109.5°
C25N24C29112.7°110.7°
N24C25C26110.6°109.3°
N24C25H21109.2°109.5°
N24C25H22109.2°109.5°
N24C29C28108.3°109.3°
N24C29H27109.8°109.5°
N24C29H28109.8°109.5°
C25C26O27109.4°109.2°
C26C25H21109.2°109.5°
C26C25H22109.2°109.5°
C25C26H23109.5°109.5°
C25C26H24109.5°109.5°
C29C28O27107.6°109.3°
C29C28H25109.9°109.5°
C29C28H26109.9°109.6°
C28C29H27109.7°109.5°
C28C29H28109.8°109.5°
C26O27C28113.0°113.7°
O27C26H23109.5°109.5°
O27C26H24109.5°109.5°
O27C28H25109.9°109.5°
O27C28H26109.9°109.5°
H1C14H2109.5°110.0°
H5C11H6109.5°110.6°
H7C10H8109.5°110.7°
H11C1H12109.5°109.5°
H11C1H13109.5°109.4°
H12C1H13109.5°109.5°
H18C23H19109.5°109.5°
H21C25H22109.5°109.5°
H23C26H24109.5°109.5°
H25C28H26109.5°109.4°
H27C29H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N2C3H10121.6°180.0°
C1N2C3N4178.1°0.0°
C1N2C3N81.7°179.4°
N2C1H11H12120.0°120.0°
N2C1H11H13120.0°120.0°
N2C1H12H13120.0°120.0°
N2C3N4N8179.7°179.4°
N2C3N4C5179.8°180.0°
N2C3N8C7179.9°179.7°
C3N2C1H11180.0°180.0°
C3N2C1H1260.0°60.0°
C3N2C1H1360.0°60.1°
N4C3N8C70.4°0.9°
C3N4C5C60.2°0.0°
C3N4C5H3179.8°179.7°
N4C3N2H1056.5°180.0°
N8C3N4C50.0°0.6°
C3N8C7C60.5°0.6°
C3N8C7N9178.9°179.5°
N8C3N2H10123.3°0.6°
N4C5C6H3180.0°179.8°
N4C5C6C70.1°0.2°
N4C5C6H4179.9°179.8°
N8C7C6C50.2°0.0°
N8C7C6N9178.4°179.9°
N8C7N9C1018.1°120.2°
N8C7N9C14159.4°2.8°
N8C7C6H4179.7°179.9°
C5C6C7H4180.0°180.0°
C5C6C7N9178.7°180.0°
C6C7N9C10163.5°59.9°
C6C7N9C1419.0°177.3°
C7C6C5H3179.9°180.0°
C7N9C10C14177.8°120.5°
C7N9C10C11166.0°159.7°
C7N9C14C12168.6°145.8°
C7N9C14H149.0°94.9°
C7N9C14H271.7°26.4°
N9C7C6H41.3°0.0°
C7N9C10H746.7°41.3°
C7N9C10H874.6°81.8°
N9C10C11H7119.3°118.4°
N9C10C11H8119.3°118.5°
N9C10C11C1234.4°37.4°
C10N9C14C129.2°25.3°
C10N9C14H1128.8°144.6°
C10N9C14H2110.5°94.1°
N9C10C11H584.4°81.0°
N9C10C11H6153.1°155.8°
N9C10H7H8121.9°123.1°
C11C10N9C1416.1°39.2°
C10C11C12H5118.7°118.4°
C10C11C12H6118.8°118.6°
C10C11C12C1438.6°22.0°
C10C11C12N15155.5°140.8°
C10C11H5H6123.6°123.4°
C11C10H7H8122.0°123.1°
C10C11C12H979.0°96.9°
N9C14C12C1130.2°1.2°
N9C14C12H1119.7°119.4°
N9C14C12H2119.7°119.5°
N9C14C12N15148.8°117.7°
N9C14H1H2121.0°121.3°
C14N9C10H7135.5°79.3°
C14N9C10H8103.2°157.6°
N9C14C12H987.2°120.1°
C11C12C14N15118.6°118.9°
C11C12C14H9117.4°118.9°
C11C12N15H9124.8°122.2°
C11C12N15C16162.9°89.3°
C11C12C14H1149.9°120.6°
C11C12C14H289.4°118.3°
C12C11H5H6123.6°123.1°
C12C11C10H7153.7°81.0°
C12C11C10H884.9°155.9°
C11C12N15H1417.1°90.7°
C14C12N15H9123.4°122.1°
C14C12N15C1685.3°155.0°
C12C14H1H2121.0°121.1°
C14C12C11H580.1°96.4°
C14C12C11H6157.4°140.5°
C14C12N15H1494.6°24.9°
C12N15C16H14180.0°179.9°
C12N15C16O1723.5°0.0°
C12N15C16N18156.9°179.9°
N15C12C14H191.5°1.7°
N15C12C14H229.2°122.8°
N15C12C11H536.8°22.5°
N15C12C11H685.8°100.6°
N15C16O17N18179.6°179.9°
N15C16N18C19177.5°175.2°
C16N15C12H938.1°32.9°
N15C16N18H152.5°4.7°
O17C16N18C192.9°4.8°
O17C16N15H14156.5°179.9°
O17C16N18H15177.1°175.2°
C16N18C19H15180.0°180.0°
C16N18C19C3133.4°144.7°
C16N18C19C20144.8°35.6°
N18C16N15H1423.2°0.0°
N18C19C31C20178.2°179.7°
N18C19C31C30178.6°179.8°
N18C19C20C21178.4°180.0°
N18C19C20H161.6°0.1°
N18C19C31H291.4°0.0°
C19C31C30H29180.0°179.8°
C31C19C20C210.1°0.3°
C19C31C30C32179.8°179.7°
C19C31C30C220.2°0.5°
C31C19N18H15146.6°35.2°
C31C19C20H16179.9°179.8°
C20C19C31C300.4°0.5°
C19C20C21H16180.0°179.9°
C19C20C21C220.6°0.0°
C20C19N18H1535.1°144.5°
C19C20C21H17179.5°180.0°
C20C19C31H29179.6°179.7°
C31C30C32F333.0°125.1°
C31C30C32C22179.6°179.8°
C31C30C32F34121.9°114.9°
C31C30C32F35117.9°5.1°
C31C30C22C210.4°0.2°
C31C30C22C23179.6°179.8°
C20C21C22C300.8°0.0°
C20C21C22H17180.0°180.0°
C20C21C22C23180.0°180.0°
F33C32C30F34118.9°120.0°
F33C32C30F35120.9°120.0°
F33C32C30C22176.6°55.1°
F33C32F34F35116.5°120.0°
C30C32F34F35121.8°120.0°
C32C30C22C21179.2°180.0°
C32C30C22C230.1°0.0°
C32C30C31H290.2°0.0°
C22C30C32F3457.7°64.8°
C22C30C32F3562.5°175.1°
C30C22C21C23179.2°180.0°
C30C22C23N24163.4°75.0°
C30C22C21H17179.2°180.0°
C30C22C23H1875.9°45.0°
C30C22C23H1942.7°165.0°
C22C30C31H29179.8°179.8°
C21C22C23N2417.4°105.0°
C22C21C20H16179.4°179.9°
C21C22C23H18103.3°135.0°
C21C22C23H19138.1°15.0°
C22C23N24H18120.7°119.9°
C22C23N24H19120.7°120.0°
C22C23N24C25153.6°164.5°
C22C23N24C2980.5°71.9°
C23C22C21H170.0°0.0°
C22C23H18H19117.9°120.0°
C23N24C25C29124.7°123.8°
C23N24C25C26177.3°177.6°
C23N24C29C28178.1°177.6°
N24C23H18H19117.8°120.0°
C23N24C25H2162.6°57.7°
C23N24C25H2257.1°62.4°
C23N24C29H2762.1°62.4°
C23N24C29H2858.3°57.7°
N24C25C26H21120.2°119.9°
N24C25C26H22120.2°119.9°
C25N24C29C2856.8°58.6°
N24C25C26O2751.6°56.9°
C25N24C23H1832.9°44.6°
C25N24C23H1985.7°75.5°
N24C25H21H22119.5°120.1°
N24C25C26H2368.4°63.1°
N24C25C26H24171.6°176.8°
C25N24C29H2763.0°61.4°
C25N24C29H28176.6°178.6°
C29N24C25C2652.5°58.6°
N24C29C28H27119.8°120.0°
N24C29C28H28119.8°120.0°
N24C29C28O2760.6°56.9°
C29N24C23H18158.8°168.2°
C29N24C23H1940.2°48.1°
C29N24C25H21172.7°178.5°
C29N24C25H2267.6°61.3°
N24C29C28H25179.7°63.1°
N24C29C28H2659.1°176.8°
N24C29H27H28120.5°120.1°
C25C26O27H23120.0°120.0°
C25C26O27H24120.0°119.9°
C25C26O27C2859.9°58.7°
C26C25H21H22119.5°120.1°
C25C26H23H24120.0°120.1°
C29C28O27C2664.7°58.7°
C29C28O27H25119.7°120.0°
C29C28O27H26119.7°120.0°
C29C28H25H26120.9°120.2°
C28C29H27H28120.5°120.1°
O27C26C25H21171.8°176.8°
O27C26C25H2268.5°63.1°
O27C26H23H24120.0°120.1°
C26O27C28H25175.6°61.3°
C26O27C28H2655.1°178.7°
C28O27C26H2360.1°61.3°
C28O27C26H24179.9°178.6°
O27C28H25H26120.8°120.0°
O27C28C29H2759.2°63.1°
O27C28C29H28179.5°176.8°
H1C14C12H932.4°120.5°
H2C14C12H9153.1°0.6°
H3C5C6H40.1°0.0°
H5C11C10H734.9°160.6°
H5C11C10H8156.3°37.5°
H5C11C12H9162.3°144.7°
H6C11C10H787.6°37.4°
H6C11C10H833.8°85.7°
H6C11C12H939.7°21.6°
H9C12N15H14142.0°147.1°
H10N2C1H1158.3°0.0°
H10N2C1H1261.7°119.9°
H10N2C1H13178.4°120.0°
H11C1H12H13120.0°120.0°
H16C20C21H170.5°0.1°
H21C25C26H2351.8°56.8°
H21C25C26H2468.2°63.3°
H22C25C26H23171.5°177.0°
H22C25C26H2451.4°56.8°
H25C28C29H2760.5°176.9°
H25C28C29H2859.8°56.9°
H26C28C29H27178.9°56.9°
H26C28C29H2860.7°63.2°

222415

PDB entries from 2024-07-10

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