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W13

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C2sing1.74Å1.75Å
C3C4doub1.38Å1.39ÅAromatic
C3C2sing1.38Å1.39ÅAromatic
C4C5sing1.39Å1.40ÅAromatic
C2C15doub1.38Å1.41ÅAromatic
C9C8sing1.53Å1.54Å
C9O10sing1.43Å1.44Å
C8C7sing1.53Å1.54Å
O10C11sing1.43Å1.45Å
C11C12sing1.53Å1.54Å
C5C13doub1.39Å1.40ÅAromatic
C5N6sing1.40Å1.41Å
C12C7sing1.53Å1.53Å
C15C13sing1.38Å1.40ÅAromatic
C15C16sing1.51Å1.51Å
C17C16sing1.53Å1.53Å
C17C18sing1.51Å1.51Å
C7N6sing1.47Å1.47Å
C13CL14sing1.74Å1.74Å
C16C30sing1.53Å1.53Å
O31C18doub1.22Å1.21Å
C18C19sing1.41Å1.42Å
C30C28sing1.51Å1.50Å
C19C28doub1.35Å1.36Å
C19S20sing1.76Å1.76Å
C28O29sing1.35Å1.35Å
S20C21sing1.76Å1.77Å
C27C21doub1.39Å1.41ÅAromatic
C27C26sing1.38Å1.39ÅAromatic
C21C22sing1.39Å1.40ÅAromatic
C26C25doub1.38Å1.39ÅAromatic
C22CL23sing1.74Å1.74Å
C22C24doub1.38Å1.40ÅAromatic
C25C24sing1.38Å1.39ÅAromatic
C4H1sing1.08Å1.08Å
C11H2sing1.09Å1.10Å
C11H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C3H11sing1.08Å1.08Å
N6H12sing0.97Å1.00Å
C16H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C17H15sing1.09Å1.10Å
C24H16sing1.08Å1.08Å
C25H17sing1.08Å1.08Å
C26H18sing1.08Å1.08Å
C27H19sing1.08Å1.08Å
O29H20sing0.97Å0.95Å
C30H21sing1.09Å1.10Å
C30H22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C2C3117.5°119.9°
CL1C2C15123.9°120.0°
C4C3C2121.8°120.0°
C3C4C5120.2°120.0°
C3C4H1119.9°120.0°
C4C3H11119.1°120.0°
C3C2C15118.5°120.1°
C2C3H11119.1°120.0°
C4C5C13118.4°119.8°
C4C5N6123.4°120.1°
C5C4H1119.9°120.0°
C2C15C13119.8°120.1°
C2C15C16123.6°119.9°
C8C9O10111.2°109.4°
C9C8C7110.4°109.1°
C9C8H5109.2°109.6°
C9C8H6109.2°109.6°
C8C9H7109.0°109.5°
C8C9H8109.1°109.5°
C9O10C11117.7°114.1°
O10C9H7109.0°109.5°
O10C9H8109.0°109.4°
C8C7C12114.6°109.1°
C8C7N6119.1°109.6°
C8C7H4101.4°109.6°
C7C8H5109.2°109.5°
C7C8H6109.3°109.5°
O10C11C12112.9°109.4°
O10C11H2108.6°109.5°
O10C11H3108.6°109.5°
C11C12C7108.9°109.2°
C12C11H2108.6°109.5°
C12C11H3108.6°109.4°
C11C12H9109.6°109.5°
C11C12H10109.6°109.5°
C13C5N6117.7°120.1°
C5C13C15121.2°119.9°
C5C13CL14118.8°120.0°
C5N6C7130.6°120.0°
C5N6H12104.0°120.0°
C12C7N6114.5°109.5°
C12C7H4101.4°109.6°
C7C12H9109.6°109.5°
C7C12H10109.6°109.5°
C13C15C16116.6°120.0°
C15C13CL14120.0°120.1°
C15C16C17116.8°109.6°
C15C16C30114.5°109.6°
C15C16H13103.3°109.5°
C16C17C18107.7°109.0°
C17C16C30113.6°108.9°
C17C16H13103.1°109.6°
C16C17H14109.9°109.5°
C16C17H15109.9°109.5°
C17C18O31118.9°119.7°
C17C18C19121.2°120.5°
C18C17H14109.9°109.6°
C18C17H15109.9°109.6°
N6C7H4101.9°109.5°
C7N6H12103.9°120.0°
C16C30C28109.2°109.5°
C30C16H13103.1°109.6°
C16C30H21109.5°109.5°
C16C30H22109.5°109.5°
O31C18C19119.9°119.7°
C18C19C28122.1°121.6°
C18C19S20118.3°119.2°
C30C28C19121.6°121.2°
C30C28O29117.3°119.3°
C28C30H21109.5°109.4°
C28C30H22109.5°109.5°
C28C19S20119.6°119.2°
C19C28O29121.1°119.5°
C19S20C21105.5°103.0°
C28O29H20109.5°113.9°
S20C21C27121.4°120.1°
S20C21C22119.3°120.1°
C21C27C26120.4°119.9°
C27C21C22119.3°119.8°
C21C27H19119.8°120.0°
C27C26C25120.1°120.1°
C27C26H18120.0°120.0°
C26C27H19119.8°120.0°
C21C22CL23120.4°120.0°
C21C22C24119.7°119.9°
C26C25C24120.0°120.1°
C26C25H17120.0°119.9°
C25C26H18120.0°119.9°
CL23C22C24119.9°120.1°
C22C24C25120.6°120.1°
C22C24H16119.7°120.0°
C25C24H16119.7°119.9°
C24C25H17120.0°119.9°
H2C11H3109.5°109.5°
H5C8H6109.5°109.5°
H7C9H8109.5°109.5°
H9C12H10109.5°109.6°
H14C17H15109.5°109.6°
H21C30H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C2C3C4178.6°180.0°
CL1C2C3C15177.8°179.4°
CL1C2C15C13178.2°179.7°
CL1C2C15C160.5°0.5°
CL1C2C3H111.4°0.0°
C4C3C2H11180.0°179.9°
C3C4C5H1180.0°179.7°
C4C3C2C150.7°0.5°
C3C4C5C134.0°0.4°
C3C4C5N6175.5°179.7°
C2C3C4C51.6°0.1°
C3C2C15C130.6°0.8°
C3C2C15C16178.2°180.0°
C2C3C4H1178.3°179.7°
C4C5C13N6172.0°179.9°
C4C5C13C154.2°0.1°
C4C5N6C738.7°0.1°
C4C5C13CL14177.9°180.0°
C5C4C3H11178.4°180.0°
C4C5N6H12161.5°180.0°
C2C15C13C51.9°0.5°
C2C15C13C16178.9°179.2°
C2C15C16C1766.6°59.4°
C2C15C13CL14179.8°179.4°
C2C15C16C3069.7°60.0°
C15C2C3H11179.3°179.4°
C2C15C16H13178.9°179.7°
C8C9O10H7120.3°120.0°
C8C9O10H8120.3°120.0°
C9C8C7H5120.1°119.9°
C9C8C7H6120.1°120.0°
C8C9O10C1157.3°61.2°
C9C8C7C1246.6°57.0°
C9C8C7N6172.4°176.8°
C9C8C7H461.8°63.0°
C9C8H5H6119.6°120.3°
C8C9H7H8119.2°120.0°
O10C9C8C77.3°57.6°
C9O10C11C1249.3°61.2°
C9O10C11H2169.8°178.8°
C9O10C11H371.2°58.8°
O10C9C8H5127.4°177.5°
O10C9C8H6112.9°62.3°
O10C9H7H8119.2°120.0°
C8C7C12C1154.1°56.9°
C8C7N6C550.0°155.2°
C8C7C12N6142.8°119.9°
C8C7C12H4108.3°120.0°
C8C7N6H4110.4°120.2°
C7C8H5H6119.6°120.1°
C7C8C9H7127.5°62.4°
C7C8C9H8113.0°177.5°
C8C7C12H9174.0°176.9°
C8C7C12H1065.8°62.9°
C8C7N6H12172.8°24.7°
O10C11C12H2120.5°120.0°
O10C11C12H3120.5°120.0°
O10C11C12C77.4°57.6°
O10C11H2H3118.5°120.1°
C11O10C9H7177.5°58.8°
C11O10C9H863.0°178.8°
O10C11C12H9127.3°177.5°
O10C11C12H10112.5°62.3°
C11C12C7H9119.9°119.9°
C11C12C7H10119.9°119.9°
C11C12C7N6163.1°176.8°
C12C11H2H3118.4°120.0°
C11C12C7H454.2°63.0°
C11C12H9H10120.3°120.1°
C5C13C15CL14177.9°180.0°
C5C13C15C16179.2°179.7°
C13C5N6C7149.7°180.0°
C13C5C4H1175.9°180.0°
C13C5N6H1227.0°0.1°
C5N6C7C1291.0°85.2°
N6C5C13C15176.2°180.0°
C5N6C7H12122.7°179.9°
N6C5C13CL145.9°0.1°
N6C5C4H14.5°0.1°
C5N6C7H4160.4°35.0°
C12C7N6H4108.6°120.2°
C7C12C11H2113.1°177.6°
C7C12C11H3128.0°62.4°
C12C7C8H573.6°176.9°
C12C7C8H6166.7°63.0°
C7C12H9H10120.2°120.1°
C12C7N6H1231.7°94.9°
C13C15C16C17114.6°119.8°
C13C15C16C30109.1°120.8°
C13C15C16H132.2°0.5°
C15C16C17C30136.6°119.8°
C15C16C17H13112.5°120.2°
C15C16C17C18169.8°176.7°
C16C15C13CL141.3°0.2°
C15C16C30H13111.5°120.2°
C15C16C30C28168.6°177.4°
C15C16C17H1450.1°63.5°
C15C16C17H1570.5°56.8°
C15C16C30H2171.4°57.4°
C15C16C30H2248.7°62.6°
C16C17C18H14119.7°119.8°
C16C17C18H15119.7°119.8°
C17C16C30H13110.8°119.9°
C16C17C18O31152.9°151.2°
C16C17C18C1926.6°28.8°
C17C16C30C2853.7°57.6°
C16C17H14H15120.8°120.2°
C17C16C30H2166.3°62.4°
C17C16C30H22173.7°177.6°
C18C17C16C3053.6°56.8°
C17C18O31C19179.4°180.0°
C17C18C19C280.1°0.2°
C17C18C19S20179.8°179.8°
C18C17C16H1357.3°63.1°
C18C17H14H15120.8°120.3°
N6C7C8H567.4°63.2°
N6C7C8H652.3°56.9°
N6C7C12H943.2°63.2°
N6C7C12H1077.0°57.0°
C16C30C28H21120.0°120.0°
C16C30C28H22119.9°120.0°
C16C30C28C1925.6°29.8°
C16C30C28O29154.1°150.2°
C30C16C17H14173.3°176.7°
C30C16C17H1566.1°63.0°
C16C30H21H22120.1°120.0°
O31C18C19C28179.3°179.8°
O31C18C19S200.3°0.2°
O31C18C17H1433.2°31.4°
O31C18C17H1587.4°88.9°
C18C19C28C300.6°0.2°
C18C19C28S20179.6°180.0°
C18C19C28O29179.7°179.8°
C18C19S20C2186.6°66.1°
C19C18C17H14146.3°148.6°
C19C18C17H1593.2°91.1°
C30C28C19O29179.7°180.0°
C30C28C19S20179.1°179.8°
C28C30C16H1357.1°62.4°
C30C28O29H20180.0°174.6°
C28C30H21H22120.1°120.0°
C28C19S20C2193.0°113.9°
C19C28O29H200.3°5.3°
C19C28C30H2194.4°90.2°
C19C28C30H22145.6°149.8°
S20C19C28O290.6°0.2°
C19S20C21C2715.0°6.3°
C19S20C21C22163.7°173.9°
O29C28C30H2186.0°89.8°
O29C28C30H2234.1°30.2°
S20C21C27C22178.7°179.8°
S20C21C27C26177.8°179.8°
S20C21C22CL232.1°0.0°
S20C21C22C24178.1°180.0°
S20C21C27H192.2°0.0°
C21C27C26H19180.0°179.8°
C21C27C26C250.0°0.5°
C27C21C22CL23179.2°179.7°
C27C21C22C240.7°0.2°
C21C27C26H18180.0°179.7°
C26C27C21C220.9°0.5°
C27C26C25H18180.0°179.7°
C27C26C25C241.2°0.3°
C27C26C25H17178.8°179.8°
C21C22CL23C24179.9°180.0°
C21C22C24C250.5°0.0°
C21C22C24H16179.5°180.0°
C22C21C27H19179.1°179.7°
C26C25C24C221.5°0.0°
C26C25C24H17180.0°179.9°
C26C25C24H16178.5°180.0°
C25C26C27H19180.0°179.7°
CL23C22C24C25179.6°180.0°
CL23C22C24H160.4°0.1°
C22C24C25H16180.0°180.0°
C22C24C25H17178.5°180.0°
C24C25C26H18178.8°180.0°
H1C4C3H111.6°0.3°
H2C11C12H96.8°62.4°
H2C11C12H10127.0°57.8°
H3C11C12H9112.1°57.6°
H3C11C12H108.1°177.8°
H4C7C8H5178.1°57.0°
H4C7C8H658.3°177.1°
H4C7C12H965.7°56.9°
H4C7C12H10174.1°177.1°
H4C7N6H1276.9°145.0°
H5C8C9H7112.4°57.5°
H5C8C9H87.1°62.6°
H6C8C9H77.4°177.7°
H6C8C9H8126.9°57.7°
H13C16C17H1462.4°56.8°
H13C16C17H15177.0°177.0°
H13C16C30H21177.1°177.7°
H13C16C30H2262.8°57.7°
H16C24C25H171.5°0.0°
H17C25C26H181.2°0.0°
H18C26C27H190.0°0.0°

223532

PDB entries from 2024-08-07

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