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0IH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL2C15sing1.74Å1.72Å
CL1C7sing1.74Å1.74Å
C15C14doub1.34Å1.40ÅAromatic
C15S1sing1.71Å1.71ÅAromatic
C14C13sing1.38Å1.43ÅAromatic
C7C6doub1.38Å1.37ÅAromatic
C7C8sing1.38Å1.37ÅAromatic
C6C5sing1.38Å1.37ÅAromatic
S1C12sing1.76Å1.77ÅAromatic
C8C9doub1.38Å1.37ÅAromatic
C13C12doub1.37Å1.39ÅAromatic
C5C4doub1.38Å1.39ÅAromatic
C12C11sing1.47Å1.47Å
C9C4sing1.38Å1.38ÅAromatic
C4C3sing1.51Å1.50Å
C11N2doub1.31Å1.31Å
C11N1sing1.37Å1.40Å
C10N1sing1.46Å1.48Å
C10C2sing1.53Å1.53Å
N2C16sing1.35Å1.36Å
N1C29sing1.35Å1.39Å
N5N6sing1.28Å1.34ÅAromatic
N5N4doub1.29Å1.29ÅAromatic
C3C2sing1.53Å1.53Å
C16C17doub1.40Å1.41ÅAromatic
C16C28sing1.42Å1.41ÅAromatic
N6C26doub1.32Å1.34ÅAromatic
C2C1sing1.51Å1.53Å
C17C18sing1.36Å1.36ÅAromatic
C29C28sing1.47Å1.45Å
C29O3doub1.22Å1.23Å
N4N3sing1.41Å1.36ÅAromatic
C28C27doub1.39Å1.41ÅAromatic
C18C19doub1.40Å1.42ÅAromatic
C26N3sing1.36Å1.33ÅAromatic
C26C25sing1.48Å1.47Å
C1O2doub1.21Å1.25Å
C1O1sing1.34Å1.24Å
C27C19sing1.39Å1.37ÅAromatic
C19C20sing1.48Å1.49Å
C25C20doub1.41Å1.41ÅAromatic
C25C24sing1.39Å1.40ÅAromatic
C20C21sing1.39Å1.39ÅAromatic
C24C23doub1.38Å1.38ÅAromatic
C21C22doub1.38Å1.38ÅAromatic
C23C22sing1.39Å1.38ÅAromatic
C14H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
C9H6sing1.08Å1.08Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C13H9sing1.08Å1.08Å
C3H11sing1.09Å1.10Å
C3H12sing1.09Å1.10Å
N3H13sing0.97Å1.00Å
O1H14sing0.97Å0.95Å
C2H15sing1.09Å1.10Å
C17H16sing1.08Å1.08Å
C18H17sing1.08Å1.08Å
C21H18sing1.08Å1.08Å
C22H19sing1.08Å1.08Å
C23H20sing1.08Å1.08Å
C24H21sing1.08Å1.08Å
C27H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL2C15C14128.5°124.5°
CL2C15S1118.4°124.6°
CL1C7C6119.2°120.0°
CL1C7C8119.0°120.0°
C14C15S1113.1°111.0°
C15C14C13111.6°115.0°
C15C14H1124.2°122.5°
C15S1C1291.3°91.6°
C14C13C12112.8°113.3°
C13C14H1124.2°122.4°
C14C13H9123.6°123.3°
C6C7C8121.8°120.0°
C7C6C5118.9°120.0°
C7C6H3120.6°120.0°
C7C8C9118.6°120.0°
C7C8H5120.7°120.0°
C6C5C4120.8°120.0°
C6C5H2119.6°120.0°
C5C6H3120.6°120.0°
S1C12C13111.0°109.1°
S1C12C11116.7°125.4°
C8C9C4121.4°120.0°
C9C8H5120.7°120.0°
C8C9H6119.3°120.0°
C13C12C11132.0°125.4°
C12C13H9123.6°123.4°
C5C4C9118.4°120.0°
C5C4C3121.1°120.0°
C4C5H2119.6°120.0°
C12C11N2110.9°118.5°
C12C11N1126.0°118.5°
C9C4C3119.9°120.0°
C4C9H6119.3°120.0°
C4C3C2110.3°109.5°
C4C3H11109.3°109.4°
C4C3H12109.3°109.4°
N2C11N1121.8°123.0°
C11N2C16119.8°121.7°
C11N1C10122.9°119.8°
C11N1C29121.2°120.4°
N1C10C2112.7°109.5°
C10N1C29115.9°119.8°
N1C10H7108.7°109.5°
N1C10H8108.7°109.5°
C10C2C3112.3°109.5°
C10C2C1112.8°109.5°
C2C10H7108.7°109.5°
C2C10H8108.7°109.5°
C10C2H15106.9°109.4°
N2C16C17118.7°121.3°
N2C16C28121.1°119.2°
N1C29C28116.1°117.5°
N1C29O3120.3°121.3°
N6N5N4106.1°110.5°
N5N6C26109.3°110.5°
N5N4N3110.8°106.8°
C3C2C1110.5°109.5°
C2C3H11109.3°109.4°
C2C3H12109.3°109.5°
C3C2H15106.9°109.4°
C17C16C28119.4°119.5°
C16C17C18119.9°120.0°
C16C17H16120.1°120.0°
C16C28C29118.6°118.3°
C16C28C27119.4°120.1°
N6C26N3107.6°107.0°
N6C26C25125.6°126.5°
C2C1O2117.6°120.0°
C2C1O1117.7°120.0°
C1C2H15107.0°109.5°
C17C18C19122.0°120.9°
C18C17H16120.1°120.0°
C17C18H17119.0°119.6°
C28C29O3123.4°121.2°
C29C28C27121.9°121.7°
N4N3C26106.1°105.2°
N4N3H13126.9°127.4°
C28C27C19121.1°119.3°
C28C27H22119.4°120.3°
C18C19C27118.2°120.3°
C18C19C20120.6°119.9°
C19C18H17119.0°119.5°
N3C26C25126.6°126.5°
C26N3H13126.9°127.4°
C26C25C20122.9°120.2°
C26C25C24116.9°120.2°
O2C1O1124.7°120.0°
C1O1H14109.5°117.0°
C27C19C20120.9°119.8°
C19C27H22119.4°120.4°
C19C20C25120.3°120.2°
C19C20C21120.6°120.2°
C20C25C24120.0°119.6°
C25C20C21117.8°119.6°
C25C24C23120.1°120.0°
C25C24H21119.9°120.1°
C20C21C22121.1°120.0°
C20C21H18119.4°120.0°
C24C23C22120.1°120.4°
C24C23H20119.9°119.8°
C23C24H21120.0°120.0°
C21C22C23120.2°120.4°
C22C21H18119.4°120.0°
C21C22H19119.9°119.8°
C23C22H19119.9°119.8°
C22C23H20119.9°119.8°
H7C10H8109.4°109.4°
H11C3H12109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL2C15C14S1180.0°180.0°
CL2C15C14C13178.8°180.0°
CL2C15S1C12178.4°179.8°
CL2C15C14H11.2°0.3°
CL1C7C6C8179.7°179.9°
CL1C7C6C5179.9°180.0°
CL1C7C8C9179.6°179.7°
CL1C7C6H30.1°0.1°
CL1C7C8H50.5°0.0°
C15C14C13H1180.0°179.7°
C14C15S1C121.6°0.2°
C15C14C13C124.3°0.2°
C15C14C13H9175.6°179.8°
S1C15C14C131.2°0.0°
C15S1C12C134.1°0.3°
C15S1C12C11178.1°179.9°
S1C15C14H1178.8°179.7°
C14C13C12S15.5°0.4°
C14C13C12H9180.0°179.9°
C14C13C12C11178.3°180.0°
C7C6C5H3180.0°179.8°
C6C7C8C90.7°0.2°
C7C6C5C42.2°0.1°
C7C6C5H2177.8°180.0°
C6C7C8H5179.2°179.9°
C8C7C6C50.4°0.1°
C7C8C9H5180.0°179.7°
C7C8C9C41.5°0.5°
C8C7C6H3179.6°180.0°
C7C8C9H6178.4°180.0°
C6C5C4H2180.0°179.9°
C6C5C4C94.3°0.2°
C6C5C4C3175.7°180.0°
S1C12C13C11172.8°179.6°
S1C12C11N228.3°147.9°
S1C12C11N1139.3°32.4°
S1C12C13H9174.5°179.7°
C8C9C4C54.0°0.5°
C8C9C4H6180.0°179.4°
C8C9C4C3175.5°179.7°
C13C12C11N2159.2°31.7°
C13C12C11N133.2°148.0°
C12C13C14H1175.7°180.0°
C5C4C9C3171.5°179.8°
C5C4C3C296.0°90.0°
C4C5C6H3177.8°180.0°
C5C4C9H6176.0°180.0°
C5C4C3H11143.8°150.0°
C5C4C3H1224.1°30.1°
C12C11N2N1168.2°179.7°
C12C11N1C1017.6°0.3°
C12C11N2C16156.5°179.7°
C12C11N1C29159.9°179.7°
C11C12C13H91.7°0.1°
C9C4C3C275.2°90.2°
C9C4C5H2175.7°179.7°
C4C9C8H5178.5°179.8°
C9C4C3H1144.9°29.7°
C9C4C3H12164.6°149.7°
C4C3C2C1066.5°175.0°
C4C3C2H11120.1°120.0°
C4C3C2H12120.1°120.0°
C4C3C2C1166.6°65.0°
C3C4C5H24.3°0.1°
C3C4C9H64.5°0.2°
C4C3H11H12119.6°120.0°
C4C3C2H1550.5°55.0°
N2C11N1C10176.1°180.0°
N2C11N1C296.4°0.1°
C11N2C16C17176.0°180.0°
C11N2C16C2814.4°0.0°
C11N1C10C29177.6°180.0°
C11N1C10C289.8°88.7°
N1C11N2C1611.7°0.1°
C11N1C29C283.4°0.1°
C11N1C29O3177.9°179.9°
C11N1C10H730.7°31.3°
C11N1C10H8149.7°151.3°
N1C10C2H7120.5°120.1°
N1C10C2H8120.5°120.0°
N1C10C2C3169.9°171.9°
N1C10C2C144.3°68.1°
C10N1C29C28178.9°180.0°
C10N1C29O34.4°0.0°
N1C10H7H8118.5°120.0°
N1C10C2H1573.1°51.9°
C2C10N1C2992.6°91.3°
C10C2C3C1126.9°120.0°
C10C2C3H15117.0°119.9°
C10C2C1H15117.3°120.0°
C10C2C1O287.1°90.0°
C10C2C1O190.9°90.0°
C2C10H7H8118.5°119.9°
C10C2C3H11173.4°65.1°
C10C2C3H1253.6°55.0°
N2C16C17C28169.8°180.0°
N2C16C17C18171.9°180.0°
N2C16C28C2911.5°0.0°
N2C16C28C27173.6°180.0°
N2C16C17H168.1°0.0°
N1C29C28C166.0°0.0°
N1C29C28O3174.3°180.0°
N1C29C28C27179.3°180.0°
C29N1C10H7146.9°148.7°
C29N1C10H827.9°28.7°
N6N5N4N31.5°0.2°
N5N6C26N31.4°0.1°
N5N6C26C25177.1°179.8°
N4N5N6C261.8°0.0°
N5N4N3C260.7°0.3°
N5N4N3H13179.3°179.9°
C3C2C1H15116.1°120.0°
C3C2C1O2146.3°30.0°
C3C2C1O135.7°150.0°
C3C2C10H769.6°51.8°
C3C2C10H849.4°68.1°
C2C3H11H12119.6°120.1°
C16C17C18H16180.0°179.9°
C17C16C28C29178.9°180.0°
C17C16C28C274.1°0.0°
C16C17C18C190.7°0.0°
C16C17C18H17179.3°180.0°
C28C16C17C182.1°0.0°
C16C28C29C27174.7°179.9°
C16C28C29O3179.7°180.0°
C16C28C27C193.3°0.0°
C28C16C17H16177.9°180.0°
C16C28C27H22176.7°180.0°
N6C26N3N40.4°0.2°
N6C26N3C25175.6°180.0°
N6C26C25C2073.3°0.0°
N6C26C25C24111.7°179.7°
N6C26N3H13179.6°179.9°
C2C1O2O1177.9°180.0°
C1C2C10H7164.8°171.9°
C1C2C10H876.3°51.9°
C1C2C3H1146.5°55.0°
C1C2C3H1273.2°175.0°
C2C1O1H14177.9°180.0°
C17C18C19H17180.0°180.0°
C17C18C19C271.5°0.0°
C17C18C19C20171.3°180.0°
C29C28C27C19178.0°180.0°
C29C28C27H222.0°0.1°
O3C29C28C275.0°0.0°
N4N3C26H13180.0°179.6°
N4N3C26C25176.1°179.7°
C28C27C19C180.5°0.0°
C28C27C19H22180.0°179.9°
C28C27C19C20173.4°180.0°
C18C19C27C20172.8°180.0°
C18C19C20C25123.8°50.2°
C18C19C20C2142.8°130.0°
C19C18C17H16179.3°180.0°
C18C19C27H22179.5°179.9°
N3C26C25C20101.6°180.0°
N3C26C25C2473.4°0.3°
C26C25C20C198.8°0.0°
C26C25C20C24174.8°179.7°
C26C25C20C21175.8°179.8°
C26C25C24C23179.0°179.7°
C25C26N3H134.0°0.1°
C26C25C24H211.0°0.0°
O2C1O1H140.0°0.0°
O2C1C2H1530.2°150.0°
O1C1C2H15151.7°30.0°
C27C19C20C2548.9°129.7°
C27C19C20C21144.5°50.1°
C27C19C18H17178.4°180.0°
C19C20C25C21167.0°179.8°
C19C20C25C24176.4°179.7°
C19C20C21C22176.6°180.0°
C20C19C18H178.7°0.0°
C19C20C21H183.4°0.1°
C20C19C27H226.6°0.0°
C20C25C24C235.8°0.6°
C25C20C21C229.6°0.2°
C25C20C21H18170.3°179.7°
C20C25C24H21174.1°179.7°
C24C25C20C219.4°0.5°
C25C24C23H21180.0°179.7°
C25C24C23C222.2°0.3°
C25C24C23H20177.8°179.8°
C20C21C22H18180.0°180.0°
C20C21C22C236.2°0.0°
C20C21C22H19173.8°180.0°
C24C23C22C212.3°0.0°
C24C23C22H20180.0°179.9°
C24C23C22H19177.7°179.9°
C21C22C23H19180.0°179.9°
C21C22C23H20177.7°179.9°
C23C22C21H18173.8°180.0°
C22C23C24H21177.8°180.0°
H1C14C13H94.3°0.1°
H2C5C6H32.2°0.1°
H5C8C9H61.5°0.3°
H7C10C2H1547.4°68.1°
H8C10C2H15166.4°171.9°
H11C3C2H1569.6°175.0°
H12C3C2H15170.7°65.0°
H16C17C18H170.8°0.0°
H18C21C22H196.2°0.1°
H19C22C23H202.3°0.0°
H20C23C24H212.2°0.1°

225946

PDB entries from 2024-10-09

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