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KZN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O4Sdoub1.42Å1.43Å
C7C6sing1.51Å1.51Å
C7C8sing1.51Å1.50Å
O1C4sing1.43Å1.45Å
O1C3sing1.36Å1.37Å
NC5sing1.40Å1.43Å
NC6sing1.35Å1.35Å
N1C8doub1.30Å1.29Å
N1N2sing1.40Å1.43Å
C3C5doub1.39Å1.39ÅAromatic
C3C2sing1.39Å1.39ÅAromatic
C5C16sing1.39Å1.39ÅAromatic
C16Cdoub1.38Å1.38ÅAromatic
C2C1doub1.38Å1.38ÅAromatic
CSsing1.76Å1.76Å
CC1sing1.38Å1.39ÅAromatic
C6O3doub1.21Å1.22Å
SOdoub1.42Å1.43Å
SN3sing1.66Å1.63Å
C8C15sing1.46Å1.47Å
N2C9sing1.35Å1.37Å
C17N3sing1.47Å1.50Å
C17C18sing1.50Å1.51Å
N3C25sing1.47Å1.48Å
C19C18doub1.39Å1.40ÅAromatic
C19C20sing1.38Å1.39ÅAromatic
C18C23sing1.38Å1.41ÅAromatic
C15C14doub1.40Å1.39ÅAromatic
C15C10sing1.41Å1.41ÅAromatic
C9C10sing1.47Å1.47Å
C9O2doub1.22Å1.23Å
C14C13sing1.38Å1.38ÅAromatic
C20C21doub1.38Å1.39ÅAromatic
C10C11doub1.39Å1.40ÅAromatic
C25C24sing1.53Å1.51Å
C23C24sing1.51Å1.51Å
C23C22doub1.39Å1.40ÅAromatic
C21C22sing1.38Å1.39ÅAromatic
C13C12doub1.39Å1.38ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
N2H6sing0.97Å1.00Å
C11H7sing1.08Å1.08Å
C12H8sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
C14H10sing1.08Å1.08Å
C25H11sing1.09Å1.10Å
C25H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C22H15sing1.08Å1.08Å
C21H16sing1.08Å1.08Å
C20H17sing1.08Å1.08Å
C19H18sing1.08Å1.08Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C16H21sing1.08Å1.08Å
C2H22sing1.08Å1.08Å
C1H23sing1.08Å1.08Å
NH24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O4SC108.7°106.4°
O4SO119.2°123.2°
O4SN3106.5°106.4°
C6C7C8112.7°109.4°
C7C6N115.6°120.0°
C7C6O3121.3°120.0°
C6C7H4108.7°109.5°
C6C7H5108.7°109.5°
C7C8N1117.6°120.0°
C7C8C15120.4°120.0°
C8C7H4108.6°109.5°
C8C7H5108.6°109.5°
C4O1C3117.8°117.0°
O1C4H1109.5°109.5°
O1C4H2109.5°109.4°
O1C4H3109.5°109.5°
O1C3C5114.7°120.1°
O1C3C2124.7°120.1°
C5NC6125.2°120.0°
NC5C3116.5°120.1°
NC5C16124.2°120.1°
C5NH24117.4°120.0°
NC6O3123.1°120.0°
C6NH24117.4°120.0°
C8N1N2118.0°122.7°
N1C8C15122.0°120.0°
N1N2C9126.4°121.7°
N1N2H6116.8°119.1°
C5C3C2120.6°119.8°
C3C5C16119.3°119.8°
C3C2C1120.2°120.0°
C3C2H22119.9°120.0°
C5C16C119.5°120.0°
C5C16H21120.2°120.0°
C16CS119.3°119.9°
C16CC1121.2°120.1°
CC16H21120.3°120.0°
C2C1C119.2°120.2°
C1C2H22119.9°120.0°
C2C1H23120.4°119.9°
SCC1119.5°119.9°
CSO108.3°106.4°
CSN3106.3°107.2°
CC1H23120.4°119.9°
OSN3107.1°106.4°
SN3C17122.1°121.3°
SN3C25118.1°121.3°
C8C15C14121.5°121.9°
C8C15C10119.0°118.6°
N2C9C10114.8°118.8°
N2C9O2121.8°120.6°
C9N2H6116.8°119.2°
N3C17C18113.5°109.9°
C17N3C25113.9°117.3°
N3C17H19108.5°109.4°
N3C17H20108.4°109.5°
C17C18C19119.2°117.9°
C17C18C23121.4°122.3°
C18C17H19108.5°109.6°
C18C17H20108.5°109.0°
N3C25C24109.7°107.9°
N3C25H11109.4°109.8°
N3C25H12109.4°109.8°
C18C19C20120.6°120.5°
C19C18C23119.4°119.8°
C18C19H18119.7°119.7°
C19C20C21120.1°119.7°
C19C20H17120.0°120.1°
C20C19H18119.7°119.8°
C18C23C24120.8°122.8°
C18C23C22119.1°119.5°
C14C15C10119.5°119.6°
C15C14C13119.9°119.6°
C15C14H10120.1°120.1°
C15C10C9119.7°118.2°
C15C10C11120.0°119.8°
C10C9O2123.3°120.6°
C9C10C11120.3°122.0°
C14C13C12120.6°120.8°
C14C13H9119.7°119.6°
C13C14H10120.1°120.3°
C20C21C22120.1°119.8°
C20C21H16120.0°120.0°
C21C20H17119.9°120.2°
C10C11C12119.4°119.6°
C10C11H7120.3°120.2°
C25C24C23111.0°110.9°
C24C25H11109.4°109.8°
C24C25H12109.4°109.8°
C25C24H13109.1°109.2°
C25C24H14109.1°109.2°
C24C23C22120.1°117.6°
C23C24H13109.1°109.2°
C23C24H14109.1°109.2°
C23C22C21120.7°120.6°
C23C22H15119.7°119.7°
C21C22H15119.7°119.7°
C22C21H16119.9°120.1°
C13C12C11120.6°120.7°
C13C12H8119.7°119.6°
C12C13H9119.7°119.6°
C12C11H7120.3°120.2°
C11C12H8119.7°119.7°
H1C4H2109.4°109.5°
H1C4H3109.5°109.5°
H2C4H3109.5°109.5°
H4C7H5109.5°109.5°
H11C25H12109.4°109.8°
H13C24H14109.5°109.2°
H19C17H20109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O4SCC1672.1°23.5°
O4SCO130.9°132.9°
O4SCN3114.3°113.5°
O4SCC1105.5°156.4°
O4SON3120.9°123.0°
O4SN3C1725.3°156.2°
O4SN3C25176.6°23.6°
C6C7C8H4120.5°120.0°
C6C7C8H5120.5°120.0°
C7C6NC5160.5°175.6°
C7C6NO3178.9°180.0°
C6C7C8N1104.4°0.0°
C6C7C8C1575.8°180.0°
C6C7H4H5118.5°120.0°
C7C6NH2419.5°4.5°
C8C7C6N154.6°180.0°
C7C8N1C15179.9°180.0°
C7C8N1N2179.9°180.0°
C8C7C6O326.5°0.0°
C7C8C15C143.2°0.0°
C7C8C15C10177.7°180.0°
C8C7H4H5118.5°120.0°
C4O1C3C5177.0°180.0°
C4O1C3C24.2°0.1°
O1C4H1H2120.0°120.0°
O1C4H1H3120.0°120.0°
O1C4H2H3120.0°119.9°
O1C3C5N5.9°0.2°
O1C3C5C2178.9°179.9°
O1C3C5C16176.0°180.0°
O1C3C2C1176.3°180.0°
C3O1C4H1180.0°60.0°
C3O1C4H260.0°60.1°
C3O1C4H360.0°180.0°
O1C3C2H223.7°0.1°
C5NC6H24180.0°180.0°
NC5C3C16178.1°179.8°
NC5C3C2175.3°179.7°
NC5C16C177.5°179.8°
C5NC6O318.4°4.5°
NC5C16H212.4°0.3°
C6NC5C3165.7°145.2°
C6NC5C1612.3°34.6°
NC6C7H434.1°60.0°
NC6C7H584.9°60.0°
C8N1N2C93.6°0.1°
N1C8C15C14176.7°180.0°
N1C8C15C102.4°0.0°
N1C8C7H4135.1°120.0°
N1C8C7H516.1°120.0°
C8N1N2H6176.4°180.0°
N2N1C8C150.3°0.0°
N1N2C9H6180.0°179.9°
N1N2C9C104.6°0.1°
N1N2C9O2171.5°179.9°
C3C5C16C0.4°0.0°
C5C3C2C12.4°0.0°
C3C5C16H21179.6°180.0°
C5C3C2H22177.6°180.0°
C3C5NH2414.3°34.9°
C2C3C5C162.8°0.0°
C3C2C1H22180.0°180.0°
C3C2C1C0.4°0.0°
C3C2C1H23179.6°179.9°
C5C16CH21180.0°180.0°
C5C16CS175.1°180.0°
C5C16CC12.4°0.1°
C16C5NH24167.7°145.4°
C16CC1C22.8°0.1°
C16CSC1177.5°179.9°
C16CSO157.0°156.5°
C16CSN342.2°90.0°
C16CC1H23177.2°180.0°
C2C1CS174.6°180.0°
C2C1CH23180.0°179.9°
CSON3114.2°114.1°
CSN3C17141.1°90.2°
CSN3C2567.6°90.0°
SCC16H215.0°0.0°
SCC1H235.3°0.1°
C1CSO25.4°23.5°
C1CSN3140.2°90.1°
C1CC16H21177.6°180.0°
CC1C2H22179.6°179.9°
O3C6C7H4146.9°120.0°
O3C6C7H594.0°120.0°
O3C6NH24161.6°175.5°
OSN3C17103.3°23.3°
OSN3C2547.9°156.5°
SN3C17C25152.4°179.8°
SN3C17C18168.5°135.7°
SN3C25C24144.0°115.8°
SN3C25H1195.9°124.6°
SN3C25H1224.0°3.8°
SN3C17H1947.9°15.3°
SN3C17H2070.9°104.6°
C8C15C14C10179.1°180.0°
C8C15C10C91.2°0.0°
C8C15C14C13179.5°180.0°
C8C15C10C11179.8°180.0°
C15C8C7H444.7°60.0°
C15C8C7H5163.7°60.0°
C8C15C14H100.5°0.0°
N2C9C10C152.0°0.1°
N2C9C10O2176.1°179.9°
N2C9C10C11177.0°179.9°
N3C17C18H19120.6°120.3°
N3C17C18H20120.6°119.9°
N3C17C18C19172.5°169.3°
N3C17C18C239.7°11.2°
C17N3C25C2462.4°64.0°
C17N3C25H1157.7°55.6°
C17N3C25H12177.5°176.4°
N3C17H19H20118.2°119.9°
C18C17N3C2539.1°44.1°
C17C18C19C23177.8°179.6°
C17C18C19C20176.7°179.1°
C17C18C23C244.1°1.2°
C17C18C23C22177.1°178.9°
C17C18C19H183.3°1.0°
C18C17H19H20118.2°119.5°
N3C25C24H11120.1°119.6°
N3C25C24H12120.0°119.6°
N3C25C24C2353.6°47.5°
N3C25H11H12119.9°120.8°
N3C25C24H13173.9°167.8°
N3C25C24H1466.6°72.8°
C25N3C17H19159.7°164.5°
C25N3C17H2081.4°75.6°
C18C19C20H18180.0°180.0°
C18C19C20C210.5°0.1°
C19C18C23C24178.1°179.3°
C19C18C23C220.7°0.6°
C18C19C20H17179.5°179.9°
C19C18C17H1951.9°49.0°
C19C18C17H2066.9°70.8°
C20C19C18C231.1°0.5°
C19C20C21H17180.0°180.0°
C19C20C21C220.5°0.2°
C19C20C21H16179.5°179.8°
C18C23C24C2526.0°20.2°
C18C23C24C22178.8°179.9°
C18C23C22C210.3°0.4°
C18C23C24H13146.3°140.5°
C18C23C24H1494.2°100.2°
C18C23C22H15179.7°179.6°
C23C18C19H18178.9°179.5°
C23C18C17H19130.3°131.5°
C23C18C17H20110.8°108.8°
C14C15C10C9177.9°180.0°
C15C14C13H10180.0°180.0°
C14C15C10C111.1°0.0°
C15C14C13C120.8°0.0°
C15C14C13H9179.2°179.9°
C15C10C9C11179.1°180.0°
C15C10C9O2174.0°180.0°
C10C15C14C131.4°0.0°
C15C10C11C120.2°0.1°
C15C10C11H7179.8°179.9°
C10C15C14H10178.6°180.0°
C9C10C11C12178.9°180.0°
C10C9N2H6175.4°180.0°
C9C10C11H71.1°0.1°
O2C9C10C116.9°0.0°
O2C9N2H68.5°0.1°
C14C13C12H9180.0°179.9°
C14C13C12C110.2°0.1°
C14C13C12H8179.8°180.0°
C20C21C22C230.9°0.1°
C20C21C22H16180.0°180.0°
C20C21C22H15179.1°179.9°
C21C20C19H18179.5°179.9°
C10C11C12C130.5°0.1°
C10C11C12H7180.0°179.9°
C10C11C12H8179.5°180.0°
C25C24C23H13120.3°120.4°
C25C24C23H14120.2°120.4°
C25C24C23C22155.2°159.9°
C24C25H11H12119.9°120.8°
C25C24H13H14119.3°119.4°
C24C23C22C21179.2°179.5°
C23C24C25H1166.4°72.1°
C23C24C25H12173.7°167.1°
C23C24H13H14119.3°119.3°
C24C23C22H150.9°0.5°
C23C22C21H15180.0°180.0°
C22C23C24H1334.9°39.6°
C22C23C24H1484.6°79.7°
C23C22C21H16179.1°179.9°
C22C21C20H17179.5°179.8°
C13C12C11H8180.0°179.9°
C13C12C11H7179.5°180.0°
C12C13C14H10179.2°180.0°
C11C12C13H9179.8°180.0°
H1C4H2H3120.0°120.0°
H7C11C12H80.5°0.1°
H8C12C13H90.2°0.1°
H9C13C14H100.8°0.1°
H11C25C24H1353.8°48.3°
H11C25C24H14173.3°167.6°
H12C25C24H1366.1°72.5°
H12C25C24H1453.5°46.8°
H15C22C21H160.9°0.1°
H16C21C20H170.5°0.2°
H17C20C19H180.5°0.1°
H22C2C1H230.4°0.0°

222415

PDB entries from 2024-07-10

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