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92I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21C11sing1.51Å1.50Å
C15C13sing1.55Å1.52Å
C15N25sing1.47Å1.47Å
C23N27sing1.47Å1.45Å
C13C14sing1.55Å1.53Å
C11N25sing1.35Å1.39Å
C11O32doub1.21Å1.23Å
N25C19sing1.47Å1.46Å
O31C10doub1.21Å1.22Å
N27C10sing1.35Å1.40Å
N27C22sing1.46Å1.45Å
C14C19sing1.54Å1.53Å
C10C20sing1.50Å1.51Å
C19C9sing1.51Å1.49Å
O30C9doub1.21Å1.22Å
C9N26sing1.35Å1.38Å
C20C17sing1.52Å1.52Å
C20N24sing1.46Å1.47Å
C17S35sing1.83Å1.83Å
N24C8sing1.35Å1.39Å
N26C18sing1.47Å1.44Å
C8C18sing1.52Å1.54Å
C8O29doub1.21Å1.22Å
C12S35sing1.84Å1.85Å
C12C6sing1.51Å1.52Å
S35O33doub1.46Å1.50Å
C18C16sing1.52Å1.52Å
C6C4doub1.38Å1.42ÅAromatic
C6C5sing1.39Å1.43ÅAromatic
C4C2sing1.38Å1.40ÅAromatic
C16O34sing1.44Å1.43Å
O34C7sing1.34Å1.35Å
C5C7sing1.48Å1.49Å
C5C3doub1.40Å1.41ÅAromatic
C2C1doub1.38Å1.40ÅAromatic
C7O28doub1.21Å1.22Å
C3C1sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C12H4sing1.09Å1.10Å
C12H5sing1.08Å1.10Å
C13H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C16H12sing1.10Å1.10Å
C16H13sing1.10Å1.10Å
C19H14sing1.09Å1.10Å
C20H15sing1.12Å1.10Å
C21H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C21H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
N26H22sing0.97Å1.00Å
C4H23sing1.08Å1.08Å
C17H24sing1.09Å1.10Å
C17H25sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
C23H27sing1.09Å1.10Å
C23H28sing1.09Å1.10Å
C23H29sing1.09Å1.10Å
N24H30sing1.00Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C11N25113.4°120.0°
C21C11O32122.0°120.0°
C11C21H16109.5°109.4°
C11C21H17109.4°109.4°
C11C21H18109.5°109.4°
C13C15N25105.9°104.8°
C15C13C14104.6°101.6°
C15C13H6110.7°111.0°
C15C13H7110.7°111.1°
C13C15H10110.4°110.4°
C13C15H11110.3°110.4°
C15N25C11125.1°125.7°
C15N25C19110.0°108.7°
N25C15H10110.4°110.4°
N25C15H11110.4°110.3°
C23N27C10119.4°120.0°
C23N27C22115.6°120.0°
N27C23H27109.5°109.4°
N27C23H28109.5°109.4°
N27C23H29109.4°109.5°
C13C14C19103.2°103.0°
C14C13H6110.7°111.0°
C14C13H7110.7°111.0°
C13C14H8111.0°110.7°
C13C14H9111.0°110.7°
N25C11O32124.6°120.0°
C11N25C19121.5°125.6°
N25C19C14105.9°107.3°
N25C19C9103.0°109.9°
N25C19H14112.6°110.0°
O31C10N27121.2°120.0°
O31C10C20119.5°120.1°
C10N27C22123.9°120.0°
N27C10C20119.2°120.0°
N27C22H19109.5°109.5°
N27C22H20109.4°109.4°
N27C22H21109.5°109.5°
C14C19C9111.3°109.9°
C19C14H8111.0°110.7°
C19C14H9111.0°110.7°
C14C19H14111.5°109.8°
C10C20C17111.6°112.0°
C10C20N24110.2°115.4°
C10C20H15107.5°106.1°
C19C9O30122.7°120.0°
C19C9N26110.3°120.0°
C9C19H14112.1°109.9°
O30C9N26126.9°120.0°
C9N26C18119.6°120.0°
C9N26H22120.2°120.0°
C17C20N24112.0°110.2°
C20C17S35111.7°111.1°
C17C20H15107.3°106.0°
C20C17H24108.9°109.9°
C20C17H25108.9°109.8°
C20N24C8127.2°124.3°
N24C20H15108.0°106.5°
C20N24H30116.4°118.3°
C17S35C12102.7°99.9°
C17S35O33104.2°105.2°
S35C17H24108.9°108.3°
S35C17H25108.9°108.3°
N24C8C18119.9°116.2°
N24C8O29120.2°125.8°
C8N24H30116.4°117.4°
N26C18C8108.5°108.7°
N26C18C16109.8°109.6°
C18N26H22120.2°120.1°
N26C18H26108.7°109.0°
C18C8O29119.8°118.0°
C8C18C16114.6°110.4°
C8C18H26107.4°109.1°
S35C12C6111.3°108.3°
C12S35O33111.6°103.4°
S35C12H4109.0°108.0°
S35C12H5109.0°108.7°
C12C6C4113.7°119.0°
C12C6C5129.1°121.4°
C6C12H4109.0°110.0°
C6C12H5109.0°111.1°
C18C16O34111.6°113.0°
C18C16H12109.0°108.7°
C18C16H13108.9°109.1°
C16C18H26107.6°110.2°
C4C6C5117.1°119.6°
C6C4C2123.2°120.4°
C6C4H23118.4°119.6°
C6C5C7128.0°121.2°
C6C5C3119.6°119.5°
C4C2C1118.3°120.1°
C4C2H2120.8°119.9°
C2C4H23118.4°120.0°
C16O34C7120.9°122.7°
O34C16H12108.9°109.1°
O34C16H13108.9°109.6°
O34C7C5111.9°118.4°
O34C7O28125.5°121.4°
C7C5C3112.4°119.2°
C5C7O28122.5°120.2°
C5C3C1120.9°120.2°
C5C3H3119.6°119.9°
C2C1C3120.8°120.0°
C2C1H1119.6°119.9°
C1C2H2120.9°119.9°
C3C1H1119.6°120.1°
C1C3H3119.5°119.9°
H4C12H5109.5°110.8°
H6C13H7109.5°110.9°
H8C14H9109.5°110.7°
H10C15H11109.5°110.4°
H12C16H13109.5°107.2°
H16C21H17109.5°109.5°
H16C21H18109.5°109.5°
H17C21H18109.5°109.5°
H19C22H20109.5°109.4°
H19C22H21109.4°109.6°
H20C22H21109.5°109.5°
H24C17H25109.4°109.4°
H27C23H28109.5°109.4°
H27C23H29109.5°109.6°
H28C23H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C11N25C1518.0°0.1°
C21C11N25O32178.9°180.0°
C21C11N25C19175.2°179.9°
C11C21H16H17120.0°120.0°
C11C21H16H18120.0°119.9°
C11C21H17H18120.0°120.0°
C13C15N25H10119.5°118.9°
C13C15N25H11119.4°118.8°
C15C13C14H6119.2°118.0°
C15C13C14H7119.2°118.1°
C13C15N25C11152.4°155.9°
C13C15N25C196.9°24.2°
C15C13C14C1932.1°35.5°
C15C13H6H7122.3°124.0°
C15C13C14H8151.1°153.9°
C15C13C14H986.9°82.8°
C13C15H10H11121.6°122.3°
N25C15C13C1424.5°37.0°
C15N25C11C19157.2°179.8°
C15N25C11O32163.1°179.9°
C15N25C19C1413.5°1.1°
C15N25C19C9130.4°118.3°
N25C15C13H694.7°155.1°
N25C15C13H7143.8°81.0°
N25C15H10H11121.7°122.3°
C15N25C19H14108.6°120.5°
C23N27C10O317.0°5.5°
C23N27C10C22167.8°180.0°
C23N27C10C20175.8°174.6°
C23N27C22H19180.0°95.6°
C23N27C22H2060.0°144.5°
C23N27C22H2160.0°24.5°
N27C23H27H28120.0°119.9°
N27C23H27H29120.0°120.1°
N27C23H28H29120.0°120.0°
C13C14C19N2528.2°22.1°
C13C14C19H8119.0°118.4°
C13C14C19H9119.0°118.4°
C13C14C19C9139.3°141.6°
C14C13H6H7122.3°123.9°
C13C14H8H9122.9°123.3°
C14C13C15H1094.9°81.8°
C14C13C15H11144.0°155.8°
C13C14C19H1494.6°97.3°
C11N25C19C14173.8°179.0°
C11N25C19C969.3°61.5°
C11N25C15H1088.1°85.2°
C11N25C15H1133.0°37.1°
C11N25C19H1451.6°59.6°
N25C11C21H16179.0°0.1°
N25C11C21H1759.0°119.9°
N25C11C21H1861.0°120.0°
O32C11N25C195.9°0.1°
O32C11C21H160.0°180.0°
O32C11C21H17120.0°60.0°
O32C11C21H18120.0°60.0°
N25C19C14C9111.2°119.5°
N25C19C14H14122.8°119.5°
N25C19C9H14121.2°121.2°
N25C19C9O3050.2°17.8°
N25C19C9N26126.0°162.2°
N25C19C14H8147.2°140.6°
N25C19C14H990.8°96.2°
C19N25C15H10112.5°94.7°
C19N25C15H11126.4°143.0°
O31C10N27C20177.1°180.0°
O31C10N27C22160.7°174.6°
O31C10C20C1710.3°73.2°
O31C10C20N24135.4°54.0°
O31C10C20H15107.1°171.6°
N27C10C20C17172.5°106.9°
N27C10C20N2447.5°126.0°
N27C10C20H1570.0°8.4°
C10N27C22H1911.8°84.4°
C10N27C22H20131.8°35.6°
C10N27C22H21108.2°155.5°
C10N27C23H27180.0°90.0°
C10N27C23H2860.0°150.1°
C10N27C23H2960.0°30.1°
C22N27C10C2016.4°5.4°
N27C22H19H20120.0°119.9°
N27C22H19H21120.0°120.0°
N27C22H20H21120.0°119.9°
C22N27C23H2711.3°89.9°
C22N27C23H28131.3°30.0°
C22N27C23H29108.8°150.0°
C14C19C9H14125.7°121.0°
C14C19C9O3062.8°100.0°
C14C19C9N26120.9°80.0°
C19C14C13H687.1°153.5°
C19C14C13H7151.3°82.6°
C19C14H8H9122.9°123.2°
C10C20C17N24124.0°129.9°
C10C20C17H15117.6°115.3°
C10C20N24H15117.2°117.4°
C10C20C17S35176.8°51.0°
C10C20N24C8140.0°27.5°
C10C20C17H2456.5°170.8°
C10C20C17H2562.8°68.8°
C10C20N24H3040.0°152.5°
C19C9O30N26175.6°180.0°
C19C9N26C18172.5°180.0°
C9C19C14H8101.7°100.0°
C9C19C14H920.3°23.2°
C19C9N26H227.5°0.0°
O30C9N26C1811.5°0.0°
O30C9C19H14171.4°139.0°
O30C9N26H22168.5°180.0°
C9N26C18H22180.0°180.0°
C9N26C18C880.8°85.0°
C9N26C18C16153.2°154.4°
N26C9C19H144.8°41.0°
C9N26C18H2635.7°33.7°
C17C20N24H15118.0°114.5°
C20C17S35H24120.4°120.8°
C20C17S35H25120.3°120.7°
C17C20N24C895.2°100.6°
C20C17S35C12106.0°129.8°
C20C17S35O33137.5°22.8°
C20C17H24H25119.0°120.7°
C17C20N24H3084.8°79.4°
N24C20C17S3559.1°78.9°
C20N24C8H30180.0°180.0°
C20N24C8C18169.4°170.3°
C20N24C8O2911.9°11.0°
N24C20C17H24179.5°40.9°
N24C20C17H2561.2°161.3°
C17S35C12O33111.1°108.4°
C17S35C12C6172.8°154.9°
C17S35C12H452.6°86.1°
C17S35C12H566.9°34.1°
S35C17C20H1559.3°166.3°
S35C17H24H25119.0°117.8°
N24C8C18N262.8°89.5°
N24C8C18O29178.7°178.9°
N24C8C18C16125.9°150.4°
C8N24C20H1522.8°144.9°
N24C8C18H26114.6°29.2°
N26C18C8C16123.1°120.2°
N26C18C8H26117.4°118.7°
N26C18C8O29178.5°89.4°
N26C18C16H26118.2°119.9°
N26C18C16O3484.8°167.6°
N26C18C16H1235.5°46.4°
N26C18C16H13154.9°70.2°
C8C18C16H26119.4°120.5°
C8C18C16O3437.5°48.0°
C8C18C16H12157.8°73.3°
C8C18C16H1382.8°170.1°
C8C18N26H2299.2°95.0°
C18C8N24H3010.6°9.7°
O29C8C18C1655.4°30.8°
O29C8C18H2664.1°151.9°
O29C8N24H30168.1°169.1°
S35C12C6H4120.3°117.8°
S35C12C6H5120.3°119.3°
S35C12C6C485.1°105.9°
S35C12C6C592.3°74.1°
S35C12H4H5119.1°118.9°
C12S35C17H24133.6°9.0°
C12S35C17H2514.3°109.5°
C6C12S35O3361.7°46.5°
C12C6C4C5177.8°180.0°
C12C6C4C2175.2°178.4°
C12C6C5C70.1°1.8°
C12C6C5C3177.2°176.2°
C6C12H4H5119.1°123.1°
C12C6C4H234.8°2.2°
O33S35C12H458.6°165.5°
O33S35C12H5178.0°74.3°
O33S35C17H2417.1°98.0°
O33S35C17H25102.2°143.5°
C18C16O34H12120.3°121.0°
C18C16O34H13120.3°121.8°
C18C16O34C7172.5°34.2°
C18C16H12H13119.0°117.8°
C16C18N26H2226.8°25.6°
C6C4C2H23180.0°179.5°
C4C6C5C7177.2°178.2°
C4C6C5C30.2°3.8°
C6C4C2C12.0°1.4°
C6C4C2H2178.0°179.0°
C4C6C12H435.1°11.9°
C4C6C12H5154.6°134.9°
C5C6C4C22.5°1.6°
C6C5C7O349.8°147.9°
C6C5C7C3177.2°178.0°
C6C5C7O28174.4°30.9°
C6C5C3C12.7°3.0°
C6C5C3H3177.4°177.0°
C5C6C12H4147.4°168.1°
C5C6C12H528.0°45.2°
C5C6C4H23177.4°177.9°
C4C2C1H2180.0°179.6°
C4C2C1C30.9°2.2°
C4C2C1H1179.1°178.1°
C16O34C7C5168.7°172.5°
C16O34C7O2815.7°8.8°
O34C16H12H13119.0°118.6°
O34C16C18H26157.0°72.5°
O34C7C5O28175.8°178.8°
O34C7C5C3167.5°30.1°
C7O34C16H1252.1°155.2°
C7O34C16H1367.2°87.6°
C7C5C3C1174.8°179.0°
C7C5C3H35.1°1.0°
C5C3C1C23.2°0.0°
C3C5C7O288.3°151.1°
C5C3C1H3180.0°180.0°
C5C3C1H1176.7°179.7°
C2C1C3H1180.0°179.7°
C2C1C3H3176.8°180.0°
C1C2C4H23177.9°179.1°
C3C1C2H2179.1°178.2°
H1C1C2H20.9°1.5°
H1C1C3H33.2°0.3°
H2C2C4H232.1°0.5°
H6C13C14H831.9°88.1°
H6C13C14H9153.9°35.2°
H6C13C15H10145.9°36.2°
H6C13C15H1124.8°86.1°
H7C13C14H889.7°35.8°
H7C13C14H932.3°159.0°
H7C13C15H1024.3°160.1°
H7C13C15H1196.8°37.8°
H8C14C19H1424.4°21.1°
H9C14C19H14146.4°144.3°
H12C16C18H2682.7°166.2°
H13C16C18H2636.7°49.6°
H15C20C17H2461.1°73.9°
H15C20C17H25179.6°46.5°
H15C20N24H30157.2°35.1°
H16C21H17H18120.0°120.1°
H19C22H20H21120.0°120.1°
H22N26C18H26144.3°146.3°
H27C23H28H29120.0°120.1°

222415

PDB entries from 2024-07-10

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