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QQE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C32C25sing1.53Å1.50Å
O26C27sing1.43Å1.37Å
O26C25sing1.43Å1.43Å
C27C28sing1.53Å1.51Å
C25C24sing1.53Å1.54Å
CL1C15sing1.74Å1.73Å
C28N23sing1.47Å1.48Å
C28C29sing1.53Å1.54Å
C24N23sing1.47Å1.49Å
C14C15doub1.38Å1.39ÅAromatic
C14C13sing1.38Å1.39ÅAromatic
N23C21sing1.35Å1.38Å
C15C16sing1.38Å1.40ÅAromatic
C29C30sing1.53Å1.57Å
C13C12doub1.38Å1.37ÅAromatic
C21O22doub1.22Å1.24Å
C21C2sing1.48Å1.53Å
C16C11doub1.38Å1.36ÅAromatic
C30O31sing1.43Å1.44Å
C3C2doub1.39Å1.43ÅAromatic
C3C4sing1.39Å1.39ÅAromatic
C2C1sing1.40Å1.38ÅAromatic
C12C11sing1.38Å1.36ÅAromatic
C11C10sing1.51Å1.50Å
C4N8sing1.36Å1.34ÅAromatic
C4C5doub1.40Å1.39ÅAromatic
C1C18doub1.38Å1.40ÅAromatic
N8C7doub1.31Å1.32ÅAromatic
C5C18sing1.39Å1.38ÅAromatic
C5O6sing1.35Å1.37ÅAromatic
C18O19sing1.36Å1.42Å
C7O6sing1.34Å1.33ÅAromatic
C7N9sing1.38Å1.28Å
C10N9sing1.47Å1.45Å
C10C33sing1.53Å1.54Å
O19C20sing1.43Å1.45Å
C10H1sing1.09Å1.10Å
C13H2sing1.08Å1.08Å
C20H3sing1.09Å1.10Å
C20H4sing1.09Å1.10Å
C20H5sing1.09Å1.10Å
C24H6sing1.09Å1.10Å
C24H7sing1.09Å1.10Å
C28H8sing1.09Å1.10Å
C16H9sing1.08Å1.08Å
C14H10sing1.08Å1.08Å
C12H11sing1.08Å1.08Å
C33H12sing1.09Å1.10Å
C33H13sing1.09Å1.10Å
C33H14sing1.09Å1.10Å
N9H15sing0.97Å1.00Å
C3H16sing1.08Å1.08Å
C1H17sing1.08Å1.08Å
C25H18sing1.09Å1.10Å
C32H19sing1.09Å1.10Å
C32H20sing1.09Å1.10Å
C32H21sing1.09Å1.10Å
C27H22sing1.09Å1.10Å
C27H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
C30H26sing1.09Å1.10Å
C30H27sing1.09Å1.10Å
O31H28sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C32C25O26103.8°109.6°
C32C25C24115.3°109.5°
C32C25H18111.0°109.5°
C25C32H19109.5°109.5°
C25C32H20109.5°109.5°
C25C32H21109.5°109.5°
C27O26C25110.4°114.2°
O26C27C28110.9°109.2°
O26C27H22109.1°109.5°
O26C27H23109.1°109.5°
O26C25C24103.8°109.2°
O26C25H18112.2°109.5°
C27C28N23107.3°108.4°
C27C28C29113.4°109.7°
C27C28H8108.4°109.7°
C28C27H22109.1°109.5°
C28C27H23109.1°109.5°
C25C24N23112.3°108.4°
C25C24H6108.8°109.6°
C25C24H7108.8°109.7°
C24C25H18110.4°109.5°
CL1C15C14118.9°120.0°
CL1C15C16122.6°120.0°
N23C28C29110.7°109.7°
C28N23C24115.7°118.0°
C28N23C21120.8°121.0°
N23C28H8108.9°109.7°
C28C29C30106.2°109.4°
C29C28H8108.1°109.7°
C28C29H24110.3°109.5°
C28C29H25110.3°109.4°
C24N23C21123.3°121.0°
N23C24H6108.8°109.7°
N23C24H7108.7°109.7°
C15C14C13117.5°120.0°
C14C15C16118.2°120.0°
C15C14H10121.3°120.0°
C14C13C12123.3°120.0°
C14C13H2118.4°120.0°
C13C14H10121.3°120.0°
N23C21O22123.2°120.0°
N23C21C2120.1°120.0°
C15C16C11122.2°120.0°
C15C16H9118.9°120.0°
C29C30O31102.8°109.4°
C30C29H24110.3°109.5°
C30C29H25110.3°109.5°
C29C30H26111.1°109.5°
C29C30H27111.1°109.5°
C13C12C11118.6°120.0°
C12C13H2118.3°120.0°
C13C12H11120.7°120.0°
O22C21C2116.0°120.0°
C21C2C3122.6°119.9°
C21C2C1117.6°119.9°
C16C11C12120.0°120.0°
C16C11C10122.6°120.0°
C11C16H9118.9°120.0°
O31C30H26111.1°109.5°
O31C30H27111.1°109.4°
C30O31H28109.5°114.0°
C2C3C4119.2°119.7°
C3C2C1119.8°120.1°
C2C3H16120.4°120.1°
C3C4N8133.8°133.5°
C3C4C5118.9°119.9°
C4C3H16120.4°120.2°
C2C1C18121.3°120.3°
C2C1H17119.3°119.9°
C12C11C10116.9°120.0°
C11C12H11120.7°120.0°
C11C10N9116.5°109.5°
C11C10C33104.0°109.5°
C11C10H1109.9°109.5°
N8C4C5107.3°106.6°
C4N8C7106.7°108.7°
C4C5C18123.3°120.1°
C4C5O6108.0°106.4°
C1C18C5117.4°120.0°
C1C18O19126.1°120.0°
C18C1H17119.3°119.9°
N8C7O6112.9°110.1°
N8C7N9127.3°124.9°
C18C5O6128.6°133.6°
C5C18O19116.5°120.0°
C5O6C7104.9°108.2°
C18O19C20118.8°117.0°
O6C7N9119.7°125.0°
C7N9C10121.5°120.0°
C7N9H15106.4°120.0°
N9C10C33106.1°109.5°
N9C10H1110.6°109.4°
C10N9H15106.4°120.0°
C33C10H1109.3°109.5°
C10C33H12109.5°109.5°
C10C33H13109.4°109.5°
C10C33H14109.5°109.5°
O19C20H3109.5°109.5°
O19C20H4109.5°109.5°
O19C20H5109.4°109.5°
H3C20H4109.4°109.4°
H3C20H5109.5°109.4°
H4C20H5109.5°109.4°
H6C24H7109.5°109.7°
H12C33H13109.4°109.4°
H12C33H14109.5°109.5°
H13C33H14109.5°109.5°
H19C32H20109.5°109.5°
H19C32H21109.5°109.5°
H20C32H21109.4°109.4°
H22C27H23109.4°109.6°
H24C29H25109.4°109.5°
H26C30H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C32C25O26C27169.9°177.5°
C32C25O26C24120.9°120.0°
C32C25O26H18119.9°120.2°
C32C25C24H18126.9°120.1°
C32C25C24N23166.7°172.3°
C32C25C24H672.9°52.6°
C32C25C24H746.3°67.9°
C25C32H19H20120.0°120.0°
C25C32H19H21120.0°120.0°
C25C32H20H21120.0°120.0°
O26C27C28H22120.2°119.9°
O26C27C28H23120.2°119.9°
C27O26C25C2469.1°62.6°
O26C27C28N2355.9°52.3°
O26C27C28C2966.6°67.4°
O26C27C28H8173.3°172.0°
C27O26C25H1850.0°57.3°
O26C27H22H23119.3°120.1°
C25O26C27C2873.8°62.6°
O26C25C24H18120.4°119.9°
O26C25C24N2353.9°52.3°
O26C25C24H6174.4°67.5°
O26C25C24H766.5°172.0°
O26C25C32H19180.0°179.8°
O26C25C32H2060.0°60.2°
O26C25C32H2160.0°59.7°
C25O26C27H22165.9°57.3°
C25O26C27H2346.4°177.5°
C27C28N23C29124.2°119.7°
C27C28N23H8117.1°119.8°
C27C28C29H8120.2°120.5°
C27C28N23C2443.2°50.6°
C27C28N23C21131.4°129.5°
C27C28C29C30160.5°176.0°
C28C27H22H23119.4°120.2°
C27C28C29H2480.0°64.0°
C27C28C29H2541.0°56.1°
C25C24N23C2845.6°50.6°
C25C24N23H6120.4°119.7°
C25C24N23H7120.4°119.7°
C25C24N23C21128.8°129.5°
C25C24H6H7118.7°120.5°
C24C25C32H1967.2°60.0°
C24C25C32H20172.7°180.0°
C24C25C32H2152.8°60.0°
CL1C15C14C16174.4°179.3°
CL1C15C14C13176.9°179.7°
CL1C15C16C11178.7°180.0°
CL1C15C16H91.3°0.1°
CL1C15C14H103.1°0.2°
N23C28C29H8119.2°120.6°
C28N23C24C21174.5°180.0°
N23C28C29C3078.9°65.1°
C28N23C21O221.5°5.8°
C28N23C21C2171.4°174.2°
C28N23C24H6166.1°69.1°
C28N23C24H774.8°170.3°
N23C28C27H22176.1°67.6°
N23C28C27H2364.4°172.2°
N23C28C29H2440.6°54.9°
N23C28C29H25161.6°175.0°
C29C28N23C2481.0°69.1°
C29C28N23C21104.4°110.9°
C28C29C30H24119.5°120.0°
C28C29C30H25119.5°119.9°
C28C29C30O31144.6°180.0°
C29C28C27H2253.6°172.7°
C29C28C27H23173.1°52.5°
C28C29H24H25121.5°120.0°
C28C29C30H2696.5°60.0°
C28C29C30H2725.6°60.1°
C24N23C21O22175.7°174.2°
C24N23C21C214.4°5.8°
N23C24H6H7118.7°120.5°
C24N23C28H8160.3°170.3°
N23C24C25H1866.5°67.6°
C15C14C13H10180.0°179.9°
C15C14C13C120.1°0.0°
C14C15C16C114.5°0.6°
C15C14C13H2179.9°179.7°
C14C15C16H9175.5°179.2°
C13C14C15C162.5°0.4°
C14C13C12H2180.0°179.7°
C14C13C12C110.6°0.3°
C14C13C12H11179.4°179.7°
N23C21O22C2170.3°179.9°
N23C21C2C3128.9°38.9°
N23C21C2C150.2°141.1°
C21N23C24H68.4°110.8°
C21N23C24H7110.7°9.7°
C21N23C28H814.3°9.7°
C15C16C11H9180.0°179.9°
C15C16C11C123.8°0.4°
C15C16C11C10175.7°179.9°
C16C15C14H10177.5°179.5°
C29C30O31H26118.9°120.0°
C29C30O31H27119.0°119.9°
C30C29C28H840.3°55.5°
C30C29H24H25121.5°120.0°
C29C30H26H27123.1°120.0°
C29C30O31H28180.0°180.0°
C13C12C11C161.3°0.0°
C13C12C11H11180.0°180.0°
C13C12C11C10173.6°179.5°
C12C13C14H10179.9°180.0°
O22C21C2C360.5°141.0°
O22C21C2C1120.4°38.9°
C21C2C3C1179.1°180.0°
C21C2C3C4179.3°179.9°
C21C2C1C18178.8°179.8°
C21C2C3H160.7°0.1°
C21C2C1H171.2°0.0°
C16C11C12C10172.3°179.5°
C16C11C10N946.6°140.0°
C16C11C10C3369.8°99.9°
C16C11C10H1173.3°20.1°
C16C11C12H11178.7°180.0°
O31C30C29H2425.1°60.0°
O31C30C29H2595.9°60.1°
O31C30H26H27123.1°120.0°
C2C3C4H16180.0°180.0°
C2C3C4N8178.8°179.9°
C2C3C4C50.1°0.3°
C3C2C1C182.1°0.1°
C3C2C1H17177.9°180.0°
C4C3C2C11.6°0.1°
C3C4N8C5178.8°179.7°
C3C4N8C7179.1°179.7°
C3C4C5C180.9°0.3°
C3C4C5O6178.4°179.7°
C2C1C18H17180.0°179.8°
C2C1C18C51.0°0.2°
C2C1C18O19177.3°179.7°
C1C2C3H16178.3°179.9°
C12C11C10N9141.3°39.5°
C12C11C10C33102.3°80.5°
C12C11C10H114.6°159.5°
C11C12C13H2179.4°180.0°
C12C11C16H9176.2°179.5°
C11C10N9C775.0°155.0°
C11C10N9C33115.2°120.0°
C11C10N9H1126.4°120.0°
C11C10C33H1117.4°120.0°
C10C11C16H94.3°0.1°
C10C11C12H116.4°0.5°
C11C10C33H12180.0°60.0°
C11C10C33H1360.0°180.0°
C11C10C33H1460.0°60.0°
C11C10N9H1546.7°25.1°
N8C4C5C18178.1°180.0°
N8C4C5O60.5°0.0°
C4N8C7O64.3°0.0°
C4N8C7N9179.7°180.0°
N8C4C3H161.2°0.0°
C4C5C18C10.5°0.0°
C5C4N8C72.2°0.0°
C4C5C18O6177.0°180.0°
C4C5C18O19179.0°180.0°
C4C5O6C73.0°0.0°
C5C4C3H16179.8°179.7°
C1C18C5O19178.5°179.9°
C1C18C5O6177.5°180.0°
C1C18O19C208.7°0.1°
N8C7O6C54.6°0.0°
N8C7O6N9175.7°180.0°
N8C7N9C1013.0°0.0°
N8C7N9H15108.6°180.0°
C18C5O6C7179.7°180.0°
C5C18O19C20169.7°180.0°
C5C18C1H17179.0°180.0°
O6C5C18O194.0°0.1°
C5O6C7N9179.7°180.0°
C18O19C20H3180.0°60.0°
C18O19C20H460.0°180.0°
C18O19C20H560.0°60.0°
O19C18C1H172.7°0.1°
O6C7N9C10171.9°180.0°
O6C7N9H1566.4°0.1°
C7N9C10H15121.7°179.9°
C7N9C10C33169.8°84.9°
C7N9C10H151.5°35.0°
N9C10C33H1119.2°119.9°
N9C10C33H1256.6°60.0°
N9C10C33H13176.6°60.0°
N9C10C33H1463.4°180.0°
C10C33H12H13120.0°120.0°
C10C33H12H14120.0°120.0°
C10C33H13H14120.0°120.0°
C33C10N9H1568.4°95.0°
O19C20H3H4120.0°120.0°
O19C20H3H5120.0°120.1°
O19C20H4H5120.0°120.1°
H1C10C33H1262.6°180.0°
H1C10C33H1357.4°60.0°
H1C10C33H14177.4°60.0°
H1C10N9H15173.2°145.0°
H2C13C14H100.1°0.3°
H2C13C12H110.5°0.0°
H3C20H4H5120.0°119.9°
H6C24C25H1854.0°172.6°
H7C24C25H18173.1°52.1°
H8C28C27H2266.5°52.2°
H8C28C27H2353.1°68.1°
H8C28C29H24159.7°175.5°
H8C28C29H2579.2°64.4°
H12C33H13H14120.0°119.9°
H18C25C32H1959.3°60.1°
H18C25C32H2060.7°59.9°
H18C25C32H21179.3°179.9°
H19C32H20H21120.0°120.0°
H24C29C30H26144.0°180.0°
H24C29C30H2793.9°59.9°
H25C29C30H2623.0°59.9°
H25C29C30H27145.1°180.0°
H26C30O31H2861.1°60.0°
H27C30O31H2861.1°60.0°

226262

PDB entries from 2024-10-16

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