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XN4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02sing1.53Å1.56Å
C02C03sing1.53Å1.55Å
C03C04sing1.53Å1.55Å
F15C14sing1.40Å1.38Å
C10C09doub1.38Å1.42ÅAromatic
C10C11sing1.38Å1.37ÅAromatic
N26C25sing1.34Å1.32ÅAromatic
N26C27doub1.31Å1.35ÅAromatic
C09C08sing1.39Å1.38ÅAromatic
C11C12doub1.39Å1.38ÅAromatic
C06C05sing1.53Å1.48Å
C06N07sing1.46Å1.48Å
C25C24doub1.35Å1.39ÅAromatic
C04C05sing1.53Å1.57Å
C05N22sing1.47Å1.42Å
C27N28sing1.35Å1.32ÅAromatic
C08N07sing1.40Å1.42Å
C08C18doub1.39Å1.38ÅAromatic
C12C18sing1.39Å1.43ÅAromatic
C12O13sing1.36Å1.42Å
C14O13sing1.43Å1.42Å
C14F16sing1.40Å1.35Å
C14F17sing1.40Å1.38Å
N07C19sing1.34Å1.50Å
C24N28sing1.37Å1.36ÅAromatic
C24C23sing1.51Å1.55Å
N28C29sing1.46Å1.49Å
C31C32doub1.38Å1.40ÅAromatic
C31C30sing1.38Å1.40ÅAromatic
C32C33sing1.38Å1.39ÅAromatic
N22C23sing1.47Å1.32Å
N22C21sing1.47Å1.34Å
C19C21sing1.50Å1.58Å
C19O20doub1.21Å1.19Å
C29C30sing1.51Å1.57Å
C30C36doub1.38Å1.39ÅAromatic
C33CL34sing1.74Å1.80Å
C33C35doub1.38Å1.40ÅAromatic
C36C35sing1.38Å1.40ÅAromatic
C10H1sing1.08Å1.08Å
C21H2sing1.09Å1.10Å
C21H3sing1.09Å1.10Å
C01H4sing1.09Å1.10Å
C01H5sing1.09Å1.10Å
C01H6sing1.09Å1.10Å
C02H7sing1.09Å1.10Å
C02H8sing1.09Å1.10Å
C03H9sing1.09Å1.10Å
C03H10sing1.09Å1.10Å
C04H11sing1.09Å1.10Å
C04H12sing1.09Å1.10Å
C05H13sing1.09Å1.10Å
C06H14sing1.09Å1.10Å
C06H15sing1.09Å1.10Å
C09H16sing1.08Å1.08Å
C11H17sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C23H19sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C25H21sing1.08Å1.08Å
C27H22sing1.08Å1.08Å
C29H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
C31H25sing1.08Å1.08Å
C32H26sing1.08Å1.08Å
C35H27sing1.08Å1.08Å
C36H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C02C03112.7°109.5°
C02C01H4109.5°109.4°
C02C01H5109.4°109.5°
C02C01H6109.5°109.4°
C01C02H7108.7°109.4°
C01C02H8108.6°109.5°
C02C03C04113.6°109.5°
C03C02H7108.6°109.5°
C03C02H8108.7°109.5°
C02C03H9108.4°109.5°
C02C03H10108.4°109.5°
C03C04C05109.4°109.5°
C04C03H9108.4°109.4°
C04C03H10108.4°109.5°
C03C04H11109.5°109.5°
C03C04H12109.5°109.5°
F15C14O13113.4°109.5°
F15C14F16106.9°109.4°
F15C14F17109.2°109.5°
C09C10C11120.6°120.1°
C10C09C08119.0°120.1°
C09C10H1119.7°120.0°
C10C09H16120.5°120.0°
C10C11C12121.0°120.1°
C11C10H1119.7°119.9°
C10C11H17119.5°119.9°
C25N26C27105.6°109.3°
N26C25C24109.7°108.0°
N26C25H21125.2°126.0°
N26C27N28111.7°108.7°
N26C27H22124.2°125.6°
C09C08N07118.6°120.1°
C09C08C18120.2°119.9°
C08C09H16120.5°120.0°
C11C12C18118.1°119.9°
C11C12O13121.8°120.0°
C12C11H17119.5°120.0°
C05C06N07116.3°110.1°
C06C05C04101.7°109.7°
C06C05N22112.3°108.8°
C06C05H13109.4°109.7°
C05C06H14107.7°109.4°
C05C06H15107.7°109.3°
C06N07C08120.0°118.5°
C06N07C19118.2°122.9°
N07C06H14107.7°109.3°
N07C06H15107.7°109.5°
C25C24N28106.0°106.9°
C25C24C23126.1°126.6°
C24C25H21125.1°126.0°
C04C05N22114.7°109.6°
C05C04H11109.5°109.5°
C05C04H12109.5°109.5°
C04C05H13108.2°109.6°
C05N22C23117.0°111.0°
C05N22C21112.1°110.2°
N22C05H13110.2°109.6°
C27N28C24107.0°107.2°
C27N28C29126.0°126.4°
N28C27H22124.1°125.7°
N07C08C18121.1°120.0°
C08N07C19121.8°118.5°
C08C18C12121.0°119.9°
C08C18H18119.5°120.1°
C18C12O13120.1°120.0°
C12C18H18119.5°120.0°
C12O13C14120.1°117.0°
O13C14F16108.2°109.5°
O13C14F17109.8°109.5°
F16C14F17109.2°109.5°
N07C19C21115.8°122.7°
N07C19O20122.3°118.6°
N28C24C23127.8°126.6°
C24N28C29126.9°126.4°
C24C23N22116.3°109.5°
C24C23H19107.7°109.5°
C24C23H20107.7°109.5°
N28C29C30116.2°109.5°
N28C29H23107.8°109.5°
N28C29H24107.7°109.4°
C32C31C30121.1°120.0°
C31C32C33119.3°119.9°
C32C31H25119.4°120.0°
C31C32H26120.3°120.0°
C31C30C29121.5°120.0°
C31C30C36118.7°120.0°
C30C31H25119.5°120.0°
C32C33CL34119.4°120.0°
C32C33C35120.4°120.0°
C33C32H26120.4°120.1°
C23N22C21111.4°111.1°
N22C23H19107.7°109.5°
N22C23H20107.7°109.5°
N22C21C19109.5°109.9°
N22C21H2109.5°109.4°
N22C21H3109.5°109.4°
C21C19O20121.7°118.7°
C19C21H2109.5°109.4°
C19C21H3109.5°109.4°
C29C30C36119.8°120.0°
C30C29H23107.8°109.4°
C30C29H24107.8°109.5°
C30C36C35121.1°120.0°
C30C36H28119.5°120.0°
CL34C33C35120.1°120.0°
C33C35C36119.4°120.0°
C33C35H27120.3°120.0°
C36C35H27120.3°120.0°
C35C36H28119.4°120.0°
H2C21H3109.4°109.4°
H4C01H5109.5°109.5°
H4C01H6109.4°109.5°
H5C01H6109.5°109.5°
H7C02H8109.5°109.5°
H9C03H10109.5°109.5°
H11C04H12109.5°109.4°
H14C06H15109.5°109.3°
H19C23H20109.5°109.4°
H23C29H24109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C02C03H7120.5°119.9°
C01C02C03H8120.5°120.0°
C01C02C03C04134.7°180.0°
C02C01H4H5120.0°120.0°
C02C01H4H6120.0°120.0°
C02C01H5H6120.0°120.0°
C01C02H7H8118.5°120.0°
C01C02C03H914.1°60.1°
C01C02C03H10104.7°60.0°
C02C03C04H9120.6°119.9°
C02C03C04H10120.6°120.0°
C02C03C04C05158.8°175.0°
C03C02C01H4180.0°180.0°
C03C02C01H560.0°59.9°
C03C02C01H660.0°60.1°
C03C02H7H8118.6°120.0°
C02C03H9H10118.1°120.0°
C02C03C04H1181.2°55.0°
C02C03C04H1238.8°64.9°
C03C04C05C0655.9°176.7°
C03C04C05H11120.0°120.0°
C03C04C05H12120.0°120.1°
C03C04C05N22177.4°63.9°
C04C03C02H7104.8°60.1°
C04C03C02H814.3°60.0°
C04C03H9H10118.1°120.0°
C03C04H11H12120.0°120.0°
C03C04C05H1359.2°56.3°
F15C14O13C1257.2°180.0°
F15C14O13F16118.4°119.9°
F15C14O13F17122.5°120.1°
F15C14F16F17118.0°120.0°
C09C10C11H1180.0°179.8°
C10C09C08H16180.0°180.0°
C09C10C11C120.2°0.1°
C10C09C08N07179.8°180.0°
C10C09C08C180.4°0.0°
C09C10C11H17179.9°180.0°
C11C10C09C080.1°0.1°
C10C11C12H17180.0°179.9°
C10C11C12C180.3°0.0°
C10C11C12O13179.8°180.0°
C11C10C09H16179.9°179.9°
N26C25C24H21180.0°179.9°
C25N26C27N280.2°0.0°
N26C25C24N280.8°0.0°
N26C25C24C23178.9°179.7°
C25N26C27H22179.8°179.9°
C27N26C25C240.6°0.0°
N26C27N28H22180.0°179.9°
N26C27N28C240.3°0.1°
N26C27N28C29178.5°179.8°
C27N26C25H21179.4°179.9°
C09C08N07C0662.5°111.7°
C09C08N07C18179.4°180.0°
C09C08C18C120.8°0.1°
C09C08N07C19115.3°68.3°
C08C09C10H1179.9°179.8°
C09C08C18H18179.2°180.0°
C11C12C18C080.8°0.0°
C11C12C18O13179.6°180.0°
C11C12O13C141.0°0.1°
C12C11C10H1179.8°179.7°
C11C12C18H18179.2°180.0°
C05C06N07H14121.0°120.1°
C05C06N07H15121.0°120.2°
C06C05C04N22121.4°119.3°
C06C05C04H13115.1°120.4°
C06C05N22H13122.2°119.9°
C05C06N07C08179.6°161.8°
C05C06N07C192.6°18.2°
C06C05N22C23162.0°54.4°
C06C05N22C2167.5°69.1°
C06C05C04H1164.1°56.7°
C06C05C04H12175.9°63.2°
C05C06H14H15116.9°119.7°
N07C06C05C0493.5°170.2°
N07C06C05N2229.5°50.4°
C06N07C08C19177.8°180.0°
C06N07C08C18116.9°68.4°
C06N07C19C213.4°1.6°
C06N07C19O20179.1°178.3°
N07C06C05H13152.2°69.5°
N07C06H14H15116.9°119.8°
C25C24N28C270.7°0.1°
C25C24N28C23179.7°179.7°
C25C24N28C29178.8°179.8°
C25C24C23N2283.9°25.7°
C25C24C23H1937.1°94.3°
C25C24C23H20155.1°145.7°
C04C05N22H13122.4°120.2°
C04C05N22C2382.5°65.5°
C04C05N22C2148.0°171.0°
C05C04C03H938.2°65.0°
C05C04C03H1080.6°55.0°
C05C04H11H12120.0°119.9°
C04C05C06H14145.5°69.7°
C04C05C06H1527.4°49.9°
C05N22C23C2463.3°164.5°
C05N22C23C21130.8°123.0°
C05N22C21C1964.8°50.2°
C05N22C21H255.2°69.9°
C05N22C21H3175.2°170.3°
N22C05C04H1157.4°176.0°
N22C05C04H1262.6°56.1°
N22C05C06H1491.5°170.5°
N22C05C06H15150.5°69.9°
C05N22C23H1957.7°44.5°
C05N22C23H20175.8°75.5°
C27N28C24C29178.2°179.8°
C27N28C24C23179.0°179.8°
C27N28C29C30109.4°95.3°
C27N28C29H23129.7°144.6°
C27N28C29H2411.6°24.7°
N07C08C18C12179.8°180.0°
C08N07C19C21178.7°178.3°
C08N07C19O203.0°1.7°
C08N07C06H1458.6°41.6°
C08N07C06H1559.5°78.0°
N07C08C09H160.2°0.0°
N07C08C18H180.2°0.0°
C08C18C12H18180.0°180.0°
C08C18C12O13179.7°180.0°
C18C08N07C1965.3°111.7°
C18C08C09H16179.6°180.0°
C18C12O13C14178.6°179.9°
C18C12C11H17179.7°180.0°
C12O13C14F16175.6°60.1°
C12O13C14F1765.3°59.9°
O13C12C11H170.2°0.0°
O13C12C18H180.3°0.0°
O13C14F16F17119.5°120.0°
N07C19C21N2229.1°17.1°
N07C19C21O20175.7°179.9°
N07C19C21H290.9°103.0°
N07C19C21H3149.1°137.2°
C19N07C06H14123.6°138.3°
C19N07C06H15118.4°102.0°
N28C24C23N2296.4°154.0°
C24N28C29C3072.8°84.9°
N28C24C23H19142.6°86.0°
N28C24C23H2024.6°33.9°
N28C24C25H21179.2°180.0°
C24N28C27H22179.7°179.9°
C24N28C29H2348.2°35.1°
C24N28C29H24166.2°155.1°
C23C24N28C290.9°0.1°
C24C23N22H19121.0°120.0°
C24C23N22H20121.0°120.0°
C24C23N22C21165.9°72.5°
C24C23H19H20116.9°120.0°
C23C24C25H211.1°0.3°
N28C29C30C3155.0°88.6°
N28C29C30H23121.0°120.0°
N28C29C30H24121.0°120.0°
N28C29C30C36126.8°91.1°
C29N28C27H221.5°0.1°
N28C29H23H24116.9°120.0°
C32C31C30H25180.0°180.0°
C31C32C33H26180.0°179.9°
C32C31C30C29179.9°180.0°
C32C31C30C361.7°0.3°
C31C32C33CL34179.3°180.0°
C31C32C33C350.6°0.1°
C30C31C32C330.7°0.0°
C31C30C29C36178.2°179.7°
C31C30C36C351.4°0.6°
C31C30C29H23176.0°31.5°
C31C30C29H2465.9°151.4°
C30C31C32H26179.3°180.0°
C31C30C36H28178.6°179.7°
C32C33CL34C35179.9°179.9°
C32C33C35C360.9°0.2°
C33C32C31H25179.3°180.0°
C32C33C35H27179.1°180.0°
C23N22C21C19161.9°73.2°
C23N22C21H278.1°166.7°
C23N22C21H341.9°46.9°
C23N22C05H1339.8°174.3°
N22C23H19H20116.9°120.0°
N22C21C19H2120.0°120.1°
N22C21C19H3120.0°120.1°
N22C21C19O20146.6°162.8°
N22C21H2H3120.0°119.8°
C21N22C05H13170.3°50.8°
C21N22C23H1973.1°167.5°
C21N22C23H2045.0°47.5°
C19C21H2H3120.0°119.8°
O20C19C21H293.3°77.1°
O20C19C21H326.6°42.7°
C29C30C36C35179.7°179.8°
C30C29H23H24117.0°120.0°
C29C30C31H250.1°0.1°
C29C30C36H280.3°0.0°
C30C36C35C330.2°0.5°
C30C36C35H28180.0°179.7°
C36C30C29H235.8°148.9°
C36C30C29H24112.3°28.9°
C36C30C31H25178.3°179.7°
C30C36C35H27179.9°179.7°
CL34C33C35C36179.0°179.7°
CL34C33C32H260.8°0.1°
CL34C33C35H271.0°0.1°
C33C35C36H27180.0°179.8°
C35C33C32H26179.3°180.0°
C33C35C36H28179.8°179.8°
H1C10C09H160.1°0.3°
H1C10C11H170.2°0.2°
H4C01H5H6120.0°120.0°
H4C01C02H759.6°60.0°
H4C01C02H859.5°60.0°
H5C01C02H760.5°60.0°
H5C01C02H8179.5°180.0°
H6C01C02H7179.5°NaN°
H6C01C02H860.5°60.0°
H7C02C03H9134.6°NaN°
H7C02C03H1015.8°59.9°
H8C02C03H9106.3°60.0°
H8C02C03H10134.9°180.0°
H9C03C04H11158.2°175.0°
H9C03C04H1281.8°55.0°
H10C03C04H1139.4°65.0°
H10C03C04H12159.4°175.1°
H11C04C05H13179.2°63.7°
H12C04C05H1360.8°176.4°
H13C05C06H1431.2°50.6°
H13C05C06H1586.8°170.2°
H25C31C32H260.6°0.0°
H27C35C36H280.1°0.1°

222415

PDB entries from 2024-07-10

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