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3E7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O23S22doub1.42Å1.44Å
C31C32doub1.36Å1.36ÅAromatic
C31C29sing1.41Å1.42ÅAromatic
C28C29doub1.41Å1.47ÅAromatic
C28C27sing1.36Å1.40ÅAromatic
C32C33sing1.39Å1.45ÅAromatic
C29C30sing1.42Å1.40ÅAromatic
C27C26doub1.39Å1.43ÅAromatic
C33C34doub1.36Å1.36ÅAromatic
O24S22doub1.42Å1.48Å
C30C34sing1.41Å1.44ÅAromatic
C30C25doub1.41Å1.46ÅAromatic
C26C25sing1.36Å1.43ÅAromatic
C25S22sing1.76Å1.83Å
S22N19sing1.66Å1.65Å
N19C20sing1.37Å1.35ÅAromatic
N19C16sing1.37Å1.39ÅAromatic
C20C21doub1.34Å1.43ÅAromatic
C16C15doub1.39Å1.39ÅAromatic
C16C17sing1.41Å1.41ÅAromatic
C15C14sing1.36Å1.46ÅAromatic
C21C17sing1.47Å1.43ÅAromatic
C17C18doub1.39Å1.42ÅAromatic
C14C12doub1.40Å1.40ÅAromatic
C18C12sing1.39Å1.40ÅAromatic
C12C11sing1.48Å1.52Å
C11O13doub1.22Å1.24Å
C11N10sing1.35Å1.47Å
N10C07sing1.46Å1.50Å
C04C03doub1.38Å1.38ÅAromatic
C04C05sing1.38Å1.38ÅAromatic
C03C02sing1.38Å1.38ÅAromatic
C07C05sing1.51Å1.52Å
C07C08sing1.53Å1.48Å
C05C06doub1.38Å1.39ÅAromatic
C02C01doub1.38Å1.39ÅAromatic
C08C09sing1.53Å1.45Å
C06C01sing1.38Å1.37ÅAromatic
C01H1sing1.08Å1.08Å
C02H2sing1.08Å1.08Å
C03H3sing1.08Å1.08Å
C04H4sing1.08Å1.08Å
C06H5sing1.08Å1.08Å
C07H6sing1.09Å1.10Å
C08H7sing1.09Å1.10Å
C08H8sing1.09Å1.10Å
C09H9sing1.09Å1.10Å
C09H10sing1.09Å1.10Å
C09H11sing1.09Å1.10Å
N10H12sing0.97Å1.00Å
C14H13sing1.08Å1.08Å
C15H14sing1.08Å1.08Å
C18H15sing1.08Å1.08Å
C20H16sing1.08Å1.08Å
C21H17sing1.08Å1.08Å
C26H18sing1.08Å1.08Å
C27H19sing1.08Å1.08Å
C28H20sing1.08Å1.08Å
C31H21sing1.08Å1.08Å
C32H22sing1.08Å1.08Å
C33H23sing1.08Å1.08Å
C34H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O23S22O24111.5°123.1°
O23S22C25113.1°106.4°
O23S22N19106.0°106.4°
C32C31C29120.2°119.6°
C31C32C33119.3°121.0°
C32C31H21119.9°120.2°
C31C32H22120.4°119.5°
C31C29C28118.7°121.3°
C31C29C30121.3°119.4°
C29C31H21119.9°120.2°
C29C28C27120.9°119.6°
C28C29C30120.0°119.4°
C29C28H20119.5°120.1°
C28C27C26119.5°121.0°
C28C27H19120.2°119.5°
C27C28H20119.5°120.2°
C32C33C34120.7°121.0°
C33C32H22120.3°119.5°
C32C33H23119.7°119.5°
C29C30C34117.8°119.4°
C29C30C25118.9°119.4°
C27C26C25120.1°121.0°
C27C26H18119.9°119.5°
C26C27H19120.2°119.5°
C33C34C30120.7°119.6°
C34C33H23119.6°119.5°
C33C34H24119.6°120.2°
O24S22C25109.3°106.4°
O24S22N19113.4°106.4°
C34C30C25123.3°121.3°
C30C34H24119.7°120.2°
C30C25C26120.5°119.6°
C30C25S22124.1°120.2°
C26C25S22115.4°120.2°
C25C26H18120.0°119.5°
C25S22N19103.4°107.3°
S22N19C20123.3°125.0°
S22N19C16126.9°125.0°
C20N19C16109.7°110.0°
N19C20C21108.9°110.0°
N19C20H16125.5°125.0°
N19C16C15132.3°133.3°
N19C16C17108.1°107.1°
C20C21C17106.5°107.0°
C21C20H16125.6°125.0°
C20C21H17126.8°126.5°
C15C16C17119.5°119.7°
C16C15C14120.4°120.2°
C16C15H14119.8°119.9°
C16C17C21106.8°106.0°
C16C17C18120.1°120.0°
C15C14C12119.6°120.7°
C15C14H13120.2°119.7°
C14C15H14119.8°119.9°
C21C17C18133.1°134.0°
C17C21H17126.8°126.5°
C17C18C12121.2°119.4°
C17C18H15119.4°120.3°
C14C12C18119.2°120.0°
C14C12C11124.8°120.0°
C12C14H13120.2°119.6°
C18C12C11115.9°120.0°
C12C18H15119.4°120.3°
C12C11O13126.4°120.0°
C12C11N10109.8°120.0°
O13C11N10123.7°120.0°
C11N10C07129.7°120.0°
C11N10H12115.1°120.0°
N10C07C05108.8°109.5°
N10C07C08114.8°109.5°
N10C07H6103.6°109.5°
C07N10H12115.2°120.0°
C03C04C05120.5°120.0°
C04C03C02119.0°120.0°
C04C03H3120.5°120.0°
C03C04H4119.7°120.0°
C04C05C07118.3°120.0°
C04C05C06120.4°120.0°
C05C04H4119.7°120.0°
C03C02C01120.7°120.0°
C03C02H2119.7°120.0°
C02C03H3120.5°120.0°
C05C07C08120.3°109.4°
C07C05C06121.3°120.0°
C05C07H6103.4°109.5°
C07C08C09113.2°109.4°
C08C07H6103.7°109.5°
C07C08H7108.6°109.5°
C07C08H8108.5°109.5°
C05C06C01119.2°120.0°
C05C06H5120.4°120.0°
C02C01C06120.1°120.0°
C02C01H1120.0°120.0°
C01C02H2119.7°120.0°
C09C08H7108.5°109.4°
C09C08H8108.6°109.5°
C08C09H9109.5°109.5°
C08C09H10109.4°109.4°
C08C09H11109.5°109.5°
C06C01H1119.9°120.0°
C01C06H5120.4°120.0°
H7C08H8109.5°109.5°
H9C09H10109.5°109.5°
H9C09H11109.4°109.5°
H10C09H11109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O23S22O24C25125.8°122.9°
O23S22O24N19119.5°122.9°
O23S22C25C3039.5°178.8°
O23S22C25C26141.1°1.4°
O23S22C25N19114.1°113.6°
O23S22N19C209.3°131.5°
O23S22N19C16173.6°48.6°
C32C31C29H21180.0°179.9°
C32C31C29C28179.9°180.0°
C31C32C33H22180.0°179.9°
C32C31C29C300.2°0.2°
C31C32C33C340.1°0.3°
C31C32C33H23179.9°179.9°
C31C29C28C30179.8°179.8°
C31C29C28C27179.8°180.0°
C29C31C32C330.0°0.1°
C31C29C30C340.3°0.2°
C31C29C30C25179.7°179.8°
C31C29C28H200.2°0.2°
C29C31C32H22180.0°180.0°
C29C28C27H20180.0°179.9°
C29C28C27C260.4°0.0°
C28C29C30C34179.8°180.0°
C28C29C30C250.1°0.5°
C29C28C27H19179.6°180.0°
C28C29C31H210.1°0.0°
C27C28C29C300.0°0.2°
C28C27C26H19180.0°180.0°
C28C27C26C250.9°0.0°
C28C27C26H18179.2°180.0°
C32C33C34H23180.0°179.8°
C32C33C34C300.1°0.3°
C33C32C31H21180.0°180.0°
C32C33C34H24179.9°179.7°
C29C30C34C330.3°0.0°
C29C30C34C25179.9°179.5°
C29C30C25C260.6°0.5°
C29C30C25S22179.9°179.7°
C30C29C28H20180.0°179.9°
C30C29C31H21179.8°179.7°
C29C30C34H24179.7°180.0°
C27C26C25C300.9°0.3°
C27C26C25H18180.0°179.9°
C27C26C25S22179.7°180.0°
C26C27C28H20179.6°179.8°
C33C34C30H24180.0°180.0°
C33C34C30C25179.8°179.5°
C34C33C32H22179.9°179.7°
O24S22C25C30164.4°48.3°
O24S22C25C2616.2°131.4°
O24S22C25N19121.0°113.6°
O24S22N19C20131.9°1.4°
O24S22N19C1651.0°178.5°
C34C30C25C26179.3°180.0°
C34C30C25S220.0°0.2°
C30C34C33H23179.9°179.9°
C30C25C26S22179.4°179.8°
C30C25S22N1974.6°65.2°
C30C25C26H18179.1°179.8°
C25C30C34H240.2°0.5°
C26C25S22N19104.8°115.0°
C25C26C27H19179.1°180.0°
C25S22N19C20109.9°114.9°
C25S22N19C1667.2°65.0°
S22C25C26H180.3°0.0°
S22N19C20C16177.5°179.9°
S22N19C20C21178.5°180.0°
S22N19C16C152.8°0.1°
S22N19C16C17178.4°179.9°
S22N19C20H161.5°0.1°
N19C20C21H16180.0°180.0°
C20N19C16C15179.8°180.0°
C20N19C16C171.0°0.0°
N19C20C21C170.5°0.0°
N19C20C21H17179.5°180.0°
C16N19C20C211.0°0.0°
N19C16C15C17178.6°180.0°
N19C16C15C14178.8°180.0°
N19C16C17C210.7°0.0°
N19C16C17C18179.3°179.7°
N19C16C15H141.2°0.0°
C16N19C20H16179.0°180.0°
C20C21C17C160.1°0.0°
C20C21C17H17180.0°180.0°
C20C21C17C18179.9°179.7°
C16C15C14H14180.0°180.0°
C15C16C17C21179.6°180.0°
C15C16C17C180.4°0.3°
C16C15C14C120.6°0.0°
C16C15C14H13179.4°180.0°
C17C16C15C140.2°0.0°
C16C17C21C18179.9°179.6°
C16C17C18C121.1°0.5°
C17C16C15H14179.8°180.0°
C16C17C18H15178.8°180.0°
C16C17C21H17179.8°180.0°
C15C14C12H13180.0°180.0°
C15C14C12C181.3°0.2°
C15C14C12C11177.0°180.0°
C21C17C18C12178.9°179.9°
C21C17C18H151.1°0.4°
C17C21C20H16179.5°180.0°
C17C18C12C141.6°0.5°
C17C18C12H15180.0°179.5°
C17C18C12C11177.7°179.7°
C18C17C21H170.1°0.4°
C14C12C18C11176.1°179.7°
C14C12C11O1344.8°180.0°
C14C12C11N10132.6°0.1°
C12C14C15H14179.4°180.0°
C14C12C18H15178.4°180.0°
C18C12C11O13139.3°0.3°
C18C12C11N1043.2°179.8°
C18C12C14H13178.7°179.8°
C12C11O13N10177.1°179.9°
C12C11N10C07179.7°180.0°
C12C11N10H120.3°0.1°
C11C12C14H133.0°0.0°
C11C12C18H152.3°0.3°
O13C11N10C072.2°0.1°
O13C11N10H12177.8°180.0°
C11N10C07H12180.0°179.9°
C11N10C07C0586.1°155.1°
C11N10C07C0852.1°84.9°
C11N10C07H6164.5°35.1°
N10C07C05C0423.7°139.9°
N10C07C05C08135.5°120.0°
N10C07C05H6109.6°120.0°
N10C07C08H6112.2°120.0°
N10C07C05C06158.7°39.8°
N10C07C08C0992.1°65.0°
N10C07C08H728.4°55.0°
N10C07C08H8147.3°175.0°
C03C04C05H4180.0°179.9°
C04C03C02H3180.0°179.9°
C03C04C05C07178.6°180.0°
C03C04C05C061.0°0.3°
C04C03C02C010.0°0.1°
C04C03C02H2180.0°180.0°
C05C04C03C020.4°0.1°
C04C05C07C06177.5°179.7°
C04C05C07C08159.2°100.0°
C04C05C06C011.2°0.6°
C05C04C03H3179.6°180.0°
C04C05C06H5178.8°179.9°
C04C05C07H685.9°19.9°
C03C02C01H2180.0°180.0°
C03C02C01C060.2°0.3°
C03C02C01H1179.8°180.0°
C02C03C04H4179.6°179.9°
C05C07C08H6114.7°120.0°
C05C07C08C09134.8°175.0°
C07C05C06C01178.7°179.7°
C07C05C04H41.4°0.1°
C07C05C06H51.3°0.2°
C05C07C08H7104.6°65.1°
C05C07C08H814.3°55.0°
C05C07N10H1293.9°25.0°
C08C07C05C0623.3°80.3°
C07C08C09H7120.6°120.0°
C07C08C09H8120.5°120.0°
C07C08H7H8118.3°120.0°
C07C08C09H9180.0°60.0°
C07C08C09H1060.0°180.0°
C07C08C09H1160.0°60.0°
C08C07N10H12127.9°95.0°
C05C06C01C020.8°0.6°
C05C06C01H5180.0°179.5°
C05C06C01H1179.2°179.7°
C06C05C04H4179.0°179.8°
C06C05C07H691.7°159.8°
C02C01C06H1180.0°179.7°
C01C02C03H3180.0°180.0°
C02C01C06H5179.2°179.9°
C09C08C07H620.1°55.0°
C09C08H7H8118.3°120.0°
C08C09H9H10120.0°120.0°
C08C09H9H11120.0°120.0°
C08C09H10H11120.0°120.0°
C06C01C02H2179.8°179.7°
H1C01C02H20.2°0.0°
H1C01C06H50.8°0.2°
H2C02C03H30.0°0.0°
H3C03C04H40.4°0.1°
H6C07C08H7140.6°175.0°
H6C07C08H8100.5°65.0°
H6C07N10H1215.6°145.0°
H7C08C09H959.4°60.0°
H7C08C09H10179.5°60.0°
H7C08C09H1160.5°180.0°
H8C08C09H959.5°180.0°
H8C08C09H1060.6°60.0°
H8C08C09H11179.4°60.0°
H9C09H10H11120.0°120.0°
H13C14C15H140.6°0.1°
H16C20C21H170.5°0.0°
H18C26C27H190.8°0.0°
H19C27C28H200.4°0.2°
H21C31C32H220.0°0.1°
H22C32C33H230.1°0.0°
H23C33C34H240.1°0.0°

220113

PDB entries from 2024-05-22

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