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B7E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11C9sing1.53Å1.54Å
O2C1sing1.43Å1.44Å
O2C3sing1.43Å1.44Å
C9C3sing1.53Å1.54Å
C9C8sing1.53Å1.55Å
C3C5sing1.53Å1.54Å
C8C7sing1.52Å1.55Å
C12C7sing1.54Å1.56Å
C12C13sing1.52Å1.52Å
C5C6sing1.53Å1.54Å
C7C6sing1.52Å1.55Å
C7C19sing1.53Å1.56Å
C13C14doub1.38Å1.40ÅAromatic
C13C18sing1.39Å1.40ÅAromatic
C20C19sing1.54Å1.55Å
C20O21sing1.44Å1.45Å
C14C15sing1.38Å1.39ÅAromatic
C19C18sing1.50Å1.51Å
C19N23sing1.46Å1.47Å
C18C17doub1.38Å1.40ÅAromatic
C15C16doub1.39Å1.41ÅAromatic
O21C22sing1.35Å1.34Å
N23C22doub1.30Å1.29Å
C17C16sing1.39Å1.41ÅAromatic
C22N24sing1.37Å1.37Å
C16C25sing1.48Å1.49Å
C30C25doub1.40Å1.41ÅAromatic
C30N29sing1.32Å1.33ÅAromatic
C25C26sing1.40Å1.41ÅAromatic
N29C28doub1.32Å1.33ÅAromatic
C26N27doub1.32Å1.33ÅAromatic
C28N27sing1.32Å1.33ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C14H13sing1.08Å1.08Å
C15H14sing1.08Å1.08Å
C20H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C30H20sing1.08Å1.08Å
C5H21sing1.09Å1.10Å
C5H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
C6H24sing1.09Å1.10Å
C17H25sing1.08Å1.08Å
N24H26sing0.97Å1.00Å
N24H27sing0.97Å1.00Å
C26H29sing1.08Å1.08Å
C28H30sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C9C3111.0°109.5°
C11C9C8108.1°109.5°
C11C9H10108.8°109.5°
C9C11H7109.5°109.5°
C9C11H8109.5°109.5°
C9C11H9109.5°109.5°
C1O2C3116.4°114.0°
O2C1H1109.5°109.4°
O2C1H2109.4°109.5°
O2C1H3109.5°109.5°
O2C3C9110.2°109.5°
O2C3C5107.9°109.4°
O2C3H4109.9°109.5°
C3C9C8111.2°109.4°
C9C3C5111.5°109.5°
C9C3H4108.6°109.5°
C3C9H10108.8°109.5°
C9C8C7114.6°109.5°
C9C8H5108.2°109.5°
C9C8H6108.2°109.5°
C8C9H10108.8°109.5°
C3C5C6111.0°109.4°
C5C3H4108.6°109.4°
C3C5H21109.1°109.5°
C3C5H22109.1°109.5°
C8C7C12110.7°110.3°
C8C7C6110.9°111.0°
C8C7C19113.7°111.1°
C7C8H5108.2°109.4°
C7C8H6108.2°109.4°
C7C12C13105.0°105.1°
C12C7C6108.9°110.3°
C12C7C19100.6°102.7°
C7C12H11110.6°110.3°
C7C12H12110.6°110.3°
C12C13C14130.3°130.2°
C12C13C18109.4°109.8°
C13C12H11110.6°110.4°
C13C12H12110.6°110.3°
C5C6C7114.2°109.6°
C6C5H21109.1°109.5°
C6C5H22109.1°109.5°
C5C6H23108.3°109.4°
C5C6H24108.3°109.5°
C6C7C19111.5°111.2°
C7C6H23108.3°109.4°
C7C6H24108.3°109.4°
C7C19C20117.0°111.5°
C7C19C18105.6°106.4°
C7C19N23112.7°112.2°
C14C13C18120.3°120.1°
C13C14C15120.4°120.5°
C13C14H13119.8°119.8°
C13C18C19109.0°109.2°
C13C18C17119.5°119.8°
C19C20O21102.4°101.1°
C20C19C18109.2°111.5°
C20C19N23102.5°103.2°
C19C20H15111.2°111.1°
C19C20H16111.2°111.1°
C20O21C22108.5°107.8°
O21C20H15111.2°111.1°
O21C20H16111.2°111.2°
C14C15C16119.9°119.7°
C15C14H13119.8°119.7°
C14C15H14120.0°120.1°
C18C19N23109.9°112.1°
C19C18C17131.5°131.0°
C19N23C22109.4°108.0°
C18C17C16120.7°120.3°
C18C17H25119.7°119.8°
C15C16C17119.2°119.7°
C15C16C25121.3°120.2°
C16C15H14120.0°120.1°
O21C22N23114.5°113.8°
O21C22N24123.5°123.1°
N23C22N24122.0°123.1°
C17C16C25119.3°120.1°
C16C17H25119.7°119.9°
C22N24H26120.0°119.9°
C22N24H27120.0°120.0°
C16C25C30121.8°120.9°
C16C25C26121.4°120.9°
C25C30N29119.3°119.0°
C30C25C26116.5°118.1°
C25C30H20120.3°120.5°
C30N29C28121.6°120.9°
N29C30H20120.4°120.5°
C25C26N27120.6°119.0°
C25C26H29119.7°120.5°
N29C28N27121.3°122.1°
N29C28H30119.3°119.0°
C26N27C28120.6°120.9°
N27C26H29119.7°120.5°
N27C28H30119.3°119.0°
H1C1H2109.4°109.4°
H1C1H3109.5°109.4°
H2C1H3109.5°109.5°
H5C8H6109.5°109.5°
H7C11H8109.4°109.5°
H7C11H9109.5°109.5°
H8C11H9109.5°109.4°
H11C12H12109.5°110.4°
H15C20H16109.5°111.0°
H21C5H22109.4°109.5°
H23C6H24109.5°109.4°
H26N24H27120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C9C3O264.8°59.5°
C11C9C3C8120.4°119.9°
C11C9C3H10119.8°120.1°
C11C9C8H10118.1°120.0°
C11C9C3C5175.4°179.5°
C11C9C8C7174.2°179.0°
C11C9C3H455.7°60.5°
C11C9C8H565.1°59.0°
C11C9C8H653.4°61.0°
C9C11H7H8120.0°120.0°
C9C11H7H9120.0°120.0°
C9C11H8H9120.0°120.0°
C1O2C3C9133.5°149.9°
C1O2C3C5104.5°90.0°
O2C1H1H2120.0°120.0°
O2C1H1H3120.0°120.0°
O2C1H2H3120.0°120.1°
C1O2C3H413.8°29.9°
O2C3C9C5119.9°120.0°
O2C3C9H4120.5°120.0°
O2C3C9C8174.8°179.5°
O2C3C5H4119.2°120.0°
O2C3C5C6177.0°179.5°
C3O2C1H1180.0°180.0°
C3O2C1H260.0°60.1°
C3O2C1H360.0°60.0°
O2C3C9H1055.0°60.6°
O2C3C5H2162.8°59.5°
O2C3C5H2256.7°60.5°
C3C9C8H10119.9°120.0°
C9C3C5H4119.7°120.0°
C3C9C8C752.1°59.0°
C9C3C5C655.8°60.5°
C3C9C8H5172.8°60.9°
C3C9C8H668.7°179.0°
C3C9C11H7180.0°60.0°
C3C9C11H860.0°180.0°
C3C9C11H960.0°60.1°
C9C3C5H21176.0°179.5°
C9C3C5H2264.4°59.5°
C8C9C3C554.9°60.6°
C9C8C7H5120.8°120.0°
C9C8C7H6120.7°120.0°
C9C8C7C1272.6°64.2°
C9C8C7C648.4°58.4°
C9C8C7C19175.0°177.4°
C8C9C3H464.7°59.4°
C9C8H5H6117.6°120.0°
C8C9C11H757.8°59.9°
C8C9C11H8177.7°60.1°
C8C9C11H962.3°180.0°
C3C5C6H21120.3°120.0°
C3C5C6H22120.2°120.0°
C3C5C6C753.6°58.9°
C5C3C9H1064.9°59.4°
C3C5H21H22119.3°120.1°
C3C5C6H2367.1°179.0°
C3C5C6H24174.3°61.1°
C8C7C12C6122.3°123.0°
C8C7C12C19120.5°118.5°
C8C7C12C13150.9°143.0°
C8C7C6C549.2°58.4°
C8C7C6C19127.8°124.2°
C8C7C19C2027.1°21.0°
C8C7C19C18148.8°142.7°
C8C7C19N2391.3°94.3°
C7C8H5H6117.7°120.0°
C7C8C9H1067.8°61.0°
C8C7C12H1189.8°98.0°
C8C7C12H1231.6°24.1°
C8C7C6H2371.5°178.4°
C8C7C6H24169.9°61.7°
C7C12C13H11119.3°118.9°
C7C12C13H12119.3°118.9°
C12C7C6C572.9°64.2°
C12C7C6C19110.1°113.3°
C7C12C13C14160.1°164.0°
C7C12C13C1820.3°16.1°
C12C7C19C2091.3°96.9°
C12C7C19C1830.4°24.8°
C12C7C19N23150.3°147.8°
C12C7C8H548.1°175.8°
C12C7C8H6166.6°55.8°
C7C12H11H12122.1°122.1°
C12C7C6H23166.4°55.8°
C12C7C6H2447.8°175.7°
C13C12C7C686.8°94.0°
C13C12C7C1930.4°24.6°
C12C13C14C18179.5°180.0°
C12C13C14C15179.6°179.9°
C12C13C18C190.4°0.2°
C12C13C18C17179.6°179.9°
C13C12H11H12122.1°122.2°
C12C13C14H130.4°0.1°
C5C6C7H23120.7°120.0°
C5C6C7H24120.7°120.1°
C5C6C7C19177.0°177.5°
C6C5C3H463.9°59.5°
C6C5H21H22119.3°120.0°
C5C6H23H24117.8°120.0°
C6C7C19C20153.4°145.1°
C6C7C19C1884.9°93.2°
C6C7C19N2335.0°29.8°
C6C7C8H5169.2°61.6°
C6C7C8H672.3°178.4°
C6C7C12H1132.5°25.0°
C6C7C12H12153.9°147.1°
C7C6C5H21173.8°179.0°
C7C6C5H2266.6°61.1°
C7C6H23H24117.9°119.9°
C7C19C18C1319.7°16.1°
C7C19C20C18119.8°118.8°
C7C19C20N23123.8°120.7°
C7C19C20O21139.3°143.2°
C7C19C18N23121.8°123.0°
C7C19C18C17159.4°163.9°
C7C19N23C22137.6°134.6°
C19C7C8H564.2°62.6°
C19C7C8H654.3°57.4°
C19C7C12H11149.7°143.5°
C19C7C12H1288.9°94.3°
C7C19C20H15101.9°98.9°
C7C19C20H1620.4°25.2°
C19C7C6H2356.3°57.4°
C19C7C6H2462.3°62.5°
C13C14C15H13180.0°180.0°
C14C13C18C19180.0°179.9°
C14C13C18C170.8°0.1°
C13C14C15C161.2°0.0°
C14C13C12H1140.9°45.1°
C14C13C12H1280.6°77.2°
C13C14C15H14178.8°180.0°
C13C18C19C20106.8°105.7°
C18C13C14C150.2°0.0°
C13C18C19C17179.1°179.9°
C13C18C19N23141.5°139.1°
C13C18C17C160.1°0.0°
C18C13C12H11139.6°135.0°
C18C13C12H1298.9°102.8°
C18C13C14H13179.9°179.9°
C13C18C17H25179.9°180.0°
C19C20O21H15118.8°117.9°
C19C20O21H16118.8°117.9°
C20C19C18N23111.7°115.2°
C20C19C18C1774.1°74.4°
C19C20O21C2215.5°23.7°
C20C19N23C2211.0°14.4°
C19C20H15H16123.3°124.1°
O21C20C19C18101.0°98.1°
O21C20C19N2315.5°22.5°
C20O21C22N239.7°16.6°
C20O21C22N24169.9°163.3°
O21C20H15H16123.3°124.2°
C14C15C16H14180.0°180.0°
C14C15C16C171.9°0.1°
C14C15C16C25176.6°180.0°
C18C19N23C22105.0°105.7°
C19C18C17C16179.1°179.9°
C18C19C20H1517.9°19.9°
C18C19C20H16140.2°143.9°
C19C18C17H250.9°0.1°
N23C19C18C1737.6°40.8°
C19N23C22O211.5°0.5°
C19N23C22N24178.9°179.4°
N23C19C20H15134.3°140.5°
N23C19C20H16103.4°95.5°
C18C17C16C151.3°0.1°
C18C17C16H25180.0°180.0°
C18C17C16C25176.0°180.0°
C15C16C17C25174.8°179.9°
C15C16C25C3035.0°0.0°
C15C16C25C26152.0°180.0°
C16C15C14H13178.8°180.0°
C15C16C17H25178.7°180.0°
O21C22N23N24179.7°179.9°
C22O21C20H15134.3°141.6°
C22O21C20H16103.3°94.3°
O21C22N24H260.0°180.0°
O21C22N24H27180.0°0.1°
N23C22N24H26179.6°0.0°
N23C22N24H270.4°180.0°
C17C16C25C30139.7°180.0°
C17C16C25C2633.3°0.0°
C17C16C15H14178.1°179.9°
C22N24H26H27180.0°179.9°
C16C25C30C26173.3°180.0°
C16C25C30N29176.0°179.9°
C16C25C26N27175.2°179.9°
C25C16C15H143.4°0.0°
C16C25C30H203.9°0.0°
C25C16C17H253.9°0.0°
C16C25C26H294.7°0.0°
C25C30N29H20180.0°179.9°
C25C30N29C281.5°0.1°
C30C25C26N271.9°0.0°
C30C25C26H29178.1°179.9°
N29C30C25C262.7°0.1°
C30N29C28N270.7°0.0°
C30N29C28H30179.3°180.0°
C25C26N27H29180.0°179.9°
C25C26N27C280.2°0.0°
C26C25C30H20177.3°179.9°
N29C28N27C261.6°0.0°
N29C28N27H30180.0°180.0°
C28N29C30H20178.5°179.9°
C26N27C28H30178.4°180.0°
C28N27C26H29179.8°179.9°
H1C1H2H3120.0°119.9°
H4C3C9H10175.4°179.4°
H4C3C5H2156.4°60.5°
H4C3C5H22175.9°179.5°
H5C8C9H1053.0°179.0°
H6C8C9H10171.4°59.0°
H10C9C11H760.2°179.9°
H10C9C11H859.7°59.9°
H10C9C11H9179.7°60.0°
H7C11H8H9120.0°120.0°
H13C14C15H141.2°0.0°
H21C5C6H2353.2°61.0°
H21C5C6H2465.5°58.9°
H22C5C6H23172.7°59.0°
H22C5C6H2454.1°178.9°

222624

PDB entries from 2024-07-17

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