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DXM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C18sing1.53Å1.52Å
C17C16sing1.53Å1.52Å
C18C19sing1.53Å1.52Å
C16C15sing1.52Å1.52Å
C19C14sing1.52Å1.52Å
C15C14doub1.35Å1.34ÅAromatic
C15S1sing1.71Å1.67ÅAromatic
C14C13sing1.38Å1.29ÅAromatic
S1C12sing1.76Å1.69ÅAromatic
C13C12doub1.36Å1.29ÅAromatic
C12C11sing1.47Å1.49Å
C11O2doub1.22Å1.23Å
C11N6sing1.35Å1.34Å
N6C10sing1.40Å1.42Å
F1C9sing1.35Å1.34Å
C10C9doub1.39Å1.38ÅAromatic
C10C20sing1.39Å1.37ÅAromatic
C9C8sing1.40Å1.41ÅAromatic
F2C20sing1.35Å1.35Å
C6N5sing1.46Å1.46Å
C20C21doub1.38Å1.39ÅAromatic
N4N5sing1.40Å1.39Å
N4C5doub1.31Å1.34Å
N5C7sing1.35Å1.32Å
C8C5sing1.48Å1.50Å
C8C22doub1.39Å1.38ÅAromatic
C5C4sing1.41Å1.33Å
C21C22sing1.38Å1.39ÅAromatic
C7O1doub1.22Å1.26Å
C7C3sing1.42Å1.47Å
C4C3doub1.37Å1.32Å
C3N3sing1.39Å1.38Å
N3C2sing1.40Å1.38Å
C2N2doub1.31Å1.34ÅAromatic
C2C23sing1.40Å1.39ÅAromatic
N2N1sing1.40Å1.39ÅAromatic
C23C24doub1.35Å1.38ÅAromatic
N1C1sing1.46Å1.49Å
N1C24sing1.35Å1.32ÅAromatic
C24C25sing1.51Å1.51Å
C4H1sing1.08Å1.08Å
C6H63sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C13H2sing1.08Å1.08Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C25H253sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
N6H4sing0.97Å1.00Å
N3H5sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C17C16110.7°109.0°
C17C18C19111.1°109.2°
C18C17H172109.2°109.5°
C18C17H171109.2°109.6°
C17C18H182109.1°109.5°
C17C18H181109.1°109.5°
C17C16C15111.4°108.8°
C17C16H162109.0°109.6°
C17C16H161109.0°109.7°
C16C17H172109.2°109.6°
C16C17H171109.2°109.5°
C18C19C14113.5°108.8°
C19C18H182109.1°109.5°
C19C18H181109.1°109.5°
C18C19H192108.5°109.6°
C18C19H191108.5°109.6°
C16C15C14124.6°124.3°
C16C15S1122.9°124.6°
C15C16H162109.0°109.6°
C15C16H161109.0°109.6°
C19C14C15120.9°123.0°
C19C14C13126.3°123.1°
C14C19H192108.5°109.5°
C14C19H191108.5°109.6°
C14C15S1112.5°111.1°
C15C14C13112.8°113.9°
C15S1C1287.6°91.8°
C14C13C12113.5°114.1°
C14C13H2123.3°123.0°
S1C12C13113.6°109.0°
S1C12C11118.2°125.5°
C13C12C11128.2°125.5°
C12C13H2123.3°122.9°
C12C11O2119.6°120.0°
C12C11N6122.6°120.0°
O2C11N6117.8°120.0°
C11N6C10122.3°120.0°
C11N6H4118.9°120.0°
N6C10C9119.2°120.1°
N6C10C20122.7°120.0°
C10N6H4118.9°120.0°
F1C9C10116.8°120.1°
F1C9C8121.4°120.1°
C9C10C20118.1°119.9°
C10C9C8121.8°119.8°
C10C20F2120.2°119.9°
C10C20C21121.3°120.2°
C9C8C5121.9°120.1°
C9C8C22119.0°119.8°
F2C20C21118.5°119.9°
C6N5N4118.3°119.8°
C6N5C7122.1°119.9°
N5C6H63109.5°109.5°
N5C6H62109.5°109.5°
N5C6H61109.4°109.5°
C20C21C22120.7°120.2°
C20C21H21119.6°119.9°
N5N4C5120.0°120.9°
N4N5C7119.6°120.3°
N4C5C8114.7°119.7°
N4C5C4122.0°120.5°
N5C7O1120.9°120.2°
N5C7C3119.0°119.5°
C5C8C22119.1°120.1°
C8C5C4123.3°119.8°
C8C22C21119.0°120.1°
C8C22H22120.5°120.0°
C5C4C3120.9°119.7°
C5C4H1119.5°120.2°
C22C21H21119.6°119.9°
C21C22H22120.5°120.0°
O1C7C3120.1°120.2°
C7C3C4118.4°119.1°
C7C3N3113.6°120.4°
C4C3N3127.9°120.4°
C3C4H1119.5°120.2°
C3N3C2128.4°120.0°
C3N3H5115.8°120.0°
N3C2N2123.5°126.0°
N3C2C23123.5°126.0°
C2N3H5115.8°120.0°
N2C2C23112.9°108.0°
C2N2N1102.9°108.2°
C2C23C24104.0°107.9°
C2C23H23128.0°126.1°
N2N1C1115.5°126.0°
N2N1C24111.6°108.0°
C23C24N1108.6°107.9°
C23C24C25118.6°126.1°
C24C23H23128.0°126.0°
C1N1C24132.9°126.0°
N1C1H11109.5°109.4°
N1C1H12109.4°109.5°
N1C1H13109.4°109.5°
N1C24C25132.8°126.0°
C24C25H253109.5°109.4°
C24C25H252109.5°109.4°
C24C25H251109.5°109.5°
H63C6H62109.4°109.4°
H63C6H61109.5°109.5°
H62C6H61109.4°109.5°
H11C1H12109.5°109.4°
H11C1H13109.5°109.5°
H12C1H13109.5°109.5°
H162C16H161109.5°109.6°
H172C17H171109.5°109.7°
H182C18H181109.5°109.6°
H192C19H191109.4°109.7°
H253C25H252109.5°109.5°
H253C25H251109.5°109.5°
H252C25H251109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C17C16H172120.2°119.8°
C18C17C16H171120.2°119.8°
C17C18C19H182120.2°120.0°
C17C18C19H181120.2°119.8°
C18C17C16C1547.1°50.1°
C17C18C19C1442.9°51.1°
C18C17C16H162167.3°69.6°
C18C17C16H16173.2°170.0°
C18C17H172H171119.5°120.3°
C17C18H182H181119.3°120.1°
C17C18C19H192163.5°68.6°
C17C18C19H19177.7°171.0°
C16C17C18C1961.5°70.9°
C17C16C15H162120.3°119.8°
C17C16C15H161120.3°119.9°
C17C16C15C1416.7°16.6°
C17C16C15S1164.8°163.7°
C17C16H162H161119.1°120.5°
C16C17H172H171119.4°120.3°
C16C17C18H18258.7°49.1°
C16C17C18H181178.2°169.3°
C18C19C14H192120.6°119.8°
C18C19C14H191120.6°119.8°
C18C19C14C1512.2°17.3°
C18C19C14C13167.6°162.7°
C19C18C17H17258.7°169.3°
C19C18C17H171178.3°49.0°
C19C18H182H181119.3°120.1°
C18C19H192H191118.2°120.4°
C16C15C14C191.2°0.0°
C16C15C14S1178.6°179.8°
C16C15C14C13179.1°180.0°
C16C15S1C12179.5°179.9°
C15C16H162H161119.1°120.3°
C15C16C17H17273.1°169.9°
C15C16C17H171167.2°69.7°
C19C14C15C13179.8°180.0°
C19C14C15S1177.4°179.8°
C19C14C13C12176.8°180.0°
C19C14C13H23.2°0.0°
C14C19C18H18277.3°68.8°
C14C19C18H181163.2°171.0°
C14C19H192H191118.2°120.3°
C14C15S1C120.9°0.4°
C15C14C13C122.9°0.0°
C15C14C13H2177.1°180.0°
C14C15C16H162137.0°103.2°
C14C15C16H161103.6°136.5°
C15C14C19H192132.8°102.5°
C15C14C19H191108.4°137.2°
S1C15C14C132.3°0.3°
C15S1C12C130.7°0.4°
C15S1C12C11179.2°179.9°
S1C15C16H16244.5°76.5°
S1C15C16H16174.9°43.7°
C14C13C12S12.3°0.3°
C14C13C12H2180.0°180.0°
C14C13C12C11177.7°180.0°
C13C14C19H19247.0°77.5°
C13C14C19H19171.8°42.9°
S1C12C13C11179.9°179.7°
S1C12C11O22.1°179.6°
S1C12C11N6177.3°0.3°
S1C12C13H2177.7°179.7°
C13C12C11O2178.0°0.0°
C13C12C11N62.6°179.9°
C12C11O2N6179.4°179.9°
C12C11N6C10179.2°174.3°
C11C12C13H22.4°0.0°
C12C11N6H40.8°5.5°
O2C11N6C100.1°5.8°
O2C11N6H4179.9°174.4°
C11N6C10H4180.0°179.8°
C11N6C10C9113.3°133.2°
C11N6C10C2066.7°46.8°
N6C10C9F10.2°0.0°
N6C10C9C20180.0°179.9°
N6C10C9C8179.5°180.0°
N6C10C20F20.2°0.0°
N6C10C20C21179.7°179.9°
F1C9C10C8179.7°180.0°
F1C9C10C20179.8°180.0°
F1C9C8C50.5°0.0°
F1C9C8C22179.7°179.7°
C9C10C20F2179.8°179.9°
C9C10C20C210.3°0.0°
C10C9C8C5179.1°180.0°
C10C9C8C220.6°0.3°
C9C10N6H466.7°46.6°
C20C10C9C80.5°0.0°
C10C20F2C21179.5°179.9°
C10C20C21C220.1°0.3°
C10C20C21H21179.9°180.0°
C20C10N6H4113.3°133.3°
C9C8C5N435.7°0.3°
C9C8C5C22179.8°179.7°
C9C8C5C4143.1°179.7°
C9C8C22C210.5°0.6°
C9C8C22H22179.6°179.8°
F2C20C21C22179.7°179.7°
F2C20C21H210.4°0.1°
C6N5N4C7179.6°179.8°
C6N5N4C5178.8°180.0°
C6N5C7O10.3°0.2°
C6N5C7C3178.2°179.7°
N5C6H63H62120.0°120.0°
N5C6H63H61120.0°120.0°
N5C6H62H61120.0°120.0°
C20C21C22C80.2°0.6°
C20C21C22H21180.0°179.7°
C20C21C22H22179.8°179.7°
N5N4C5C8178.9°180.0°
N5N4C5C40.1°0.0°
N4N5C7O1179.9°180.0°
N4N5C7C32.2°0.5°
N4N5C6H630.0°0.0°
N4N5C6H62120.0°119.9°
N4N5C6H61120.0°120.0°
C5N4N5C71.5°0.2°
N4C5C8C4178.8°180.0°
N4C5C8C22144.5°180.0°
N4C5C4C31.0°0.0°
N4C5C4H1179.0°179.7°
N5C7O1C3177.9°179.5°
N5C7C3C41.3°0.5°
N5C7C3N3178.3°179.4°
C7N5C6H63179.6°179.8°
C7N5C6H6260.4°60.3°
C7N5C6H6159.6°59.8°
C5C8C22C21179.3°179.7°
C8C5C4C3179.7°180.0°
C8C5C4H10.3°0.3°
C5C8C22H220.7°0.1°
C22C8C5C436.7°0.0°
C8C22C21H22180.0°179.6°
C8C22C21H21179.8°179.7°
C5C4C3C70.3°0.3°
C5C4C3H1180.0°179.7°
C5C4C3N3179.8°179.7°
O1C7C3C4179.3°180.0°
O1C7C3N30.4°0.1°
C7C3C4N3179.6°179.9°
C7C3N3C2175.5°57.8°
C7C3C4H1179.7°180.0°
C7C3N3H54.5°122.3°
C4C3N3C24.9°122.3°
C4C3N3H5175.1°57.6°
C3N3C2H5180.0°179.9°
C3N3C2N25.8°173.8°
C3N3C2C23177.0°6.2°
N3C3C4H10.2°0.0°
N3C2N2C23177.4°180.0°
N3C2N2N1178.5°179.9°
N3C2C23C24178.1°179.8°
N3C2C23H231.9°0.0°
N2C2C23C240.6°0.2°
C2N2N1C1178.3°180.0°
C2N2N1C241.2°0.3°
N2C2C23H23179.3°180.0°
N2C2N3H5174.2°6.2°
C23C2N2N11.1°0.1°
C2C23C24H23180.0°179.8°
C2C23C24N10.1°0.4°
C2C23C24C25179.3°179.8°
C23C2N3H52.9°173.8°
N2N1C24C230.9°0.4°
N2N1C1C24179.4°179.6°
N2N1C24C25178.5°179.8°
N2N1C1H110.0°90.4°
N2N1C1H12120.0°29.6°
N2N1C1H13120.0°149.7°
C23C24N1C1178.5°179.9°
C23C24N1C25179.4°179.8°
C23C24C25H25389.8°90.2°
C23C24C25H252150.2°29.8°
C23C24C25H25130.3°149.8°
C1N1C24C252.1°0.1°
N1C1H11H12120.0°120.0°
N1C1H11H13120.0°120.0°
N1C1H12H13119.9°120.1°
C24N1C1H11179.3°90.0°
C24N1C1H1259.3°150.0°
C24N1C1H1360.6°29.9°
N1C24C23H23179.9°179.8°
N1C24C25H25389.6°90.0°
N1C24C25H25230.4°150.0°
N1C24C25H251150.4°30.0°
C25C24C23H230.6°0.0°
C24C25H253H252120.0°120.0°
C24C25H253H251120.0°120.0°
C24C25H252H251120.0°120.0°
H63C6H62H61120.0°120.0°
H11C1H12H13120.1°120.0°
H162C16C17H17247.1°50.2°
H162C16C17H17172.5°170.5°
H161C16C17H172166.5°70.2°
H161C16C17H17146.9°50.1°
H172C17C18H182178.9°70.7°
H172C17C18H18161.6°49.5°
H171C17C18H18261.4°168.9°
H171C17C18H18158.1°70.9°
H182C18C19H19243.3°171.4°
H182C18C19H191162.1°51.0°
H181C18C19H19276.2°51.2°
H181C18C19H19142.6°69.2°
H21C21C22H220.2°0.1°
H253C25H252H251120.0°120.0°

223532

PDB entries from 2024-08-07

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