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4S2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C28C29doub1.39Å1.41ÅAromatic
C28C27sing1.38Å1.45ÅAromatic
C29C30sing1.37Å1.44ÅAromatic
C27C24doub1.39Å1.42ÅAromatic
C30C25doub1.41Å1.43ÅAromatic
C24C25sing1.40Å1.42ÅAromatic
C24S23sing1.76Å1.76ÅAromatic
C25N26sing1.35Å1.40ÅAromatic
S23C10sing1.76Å1.74ÅAromatic
N26C10doub1.29Å1.35ÅAromatic
C10C06sing1.47Å1.48Å
O09C05doub1.22Å1.26Å
C06C05sing1.41Å1.52Å
C06C01doub1.40Å1.39Å
C05N04sing1.35Å1.39Å
N07C01sing1.38Å1.41Å
N07C11sing1.47Å1.47Å
C01N02sing1.33Å1.37Å
C15C11sing1.55Å1.54Å
C15C14sing1.54Å1.53Å
C11C12sing1.55Å1.54Å
N04C03sing1.36Å1.42Å
O19C18sing1.43Å1.43Å
N02C03doub1.32Å1.29Å
C14C18sing1.53Å1.54Å
C14C13sing1.54Å1.53Å
C03N08sing1.37Å1.39Å
C12C13sing1.54Å1.55Å
C12O16sing1.43Å1.42Å
C13O17sing1.43Å1.45Å
N08C20sing1.46Å1.44Å
C20C21sing1.53Å1.52Å
C20C22sing1.53Å1.52Å
C21C22sing1.53Å1.52Å
N04H1sing0.97Å1.00Å
N08H3sing0.97Å1.00Å
C11H4sing1.09Å1.10Å
C12H5sing1.09Å1.10Å
C13H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
O16H10sing0.97Å0.95Å
O17H11sing0.97Å0.95Å
C18H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
O19H14sing0.97Å0.95Å
C20H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C27H20sing1.08Å1.08Å
C28H21sing1.08Å1.08Å
C29H22sing1.08Å1.08Å
C30H23sing1.08Å1.08Å
N07H2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29C28C27119.7°120.0°
C28C29C30119.1°120.6°
C29C28H21120.2°120.0°
C28C29H22120.5°119.6°
C28C27C24120.3°120.2°
C28C27H20119.9°119.9°
C27C28H21120.1°120.0°
C29C30C25121.8°120.4°
C30C29H22120.4°119.7°
C29C30H23119.1°119.7°
C27C24C25120.7°120.3°
C27C24S23130.0°131.2°
C24C27H20119.8°119.8°
C30C25C24118.4°118.4°
C30C25N26127.3°128.7°
C25C30H23119.1°119.8°
C25C24S23109.3°108.5°
C24C25N26114.2°112.9°
C24S23C1090.5°90.5°
C25N26C10111.9°117.8°
S23C10N26113.9°110.3°
S23C10C06120.6°124.9°
N26C10C06125.1°124.8°
C10C06C05120.1°120.8°
C10C06C01121.9°120.8°
O09C05C06126.0°120.7°
O09C05N04119.1°120.6°
C05C06C01118.0°118.4°
C06C05N04114.9°118.6°
C06C01N07126.4°120.2°
C06C01N02121.3°119.5°
C05N04C03122.7°120.2°
C05N04H1118.7°119.9°
C01N07C11137.3°120.0°
N07C01N02112.3°120.3°
C01N07H2102.2°120.0°
N07C11C15111.8°110.8°
N07C11C12114.6°110.7°
N07C11H4111.1°110.6°
C11N07H2102.1°119.9°
C01N02C03123.1°121.4°
C11C15C14103.2°104.2°
C15C11C1298.4°102.8°
C15C11H4110.2°111.0°
C11C15H8111.0°110.5°
C11C15H9111.0°110.4°
C15C14C18116.8°110.0°
C15C14C13105.8°106.6°
C15C14H7106.6°110.1°
C14C15H8111.0°110.5°
C14C15H9111.0°110.5°
C11C12C13104.9°104.2°
C11C12O16112.3°110.5°
C12C11H4110.1°110.7°
C11C12H5109.2°110.4°
N04C03N02120.1°121.8°
N04C03N08119.9°119.0°
C03N04H1118.6°119.9°
O19C18C14108.2°109.4°
O19C18H12109.8°109.5°
O19C18H13109.8°109.5°
C18O19H14109.5°113.9°
N02C03N08120.0°119.1°
C18C14C13113.9°110.0°
C18C14H7106.5°110.0°
C14C18H12109.8°109.5°
C14C18H13109.8°109.5°
C14C13C12104.2°106.6°
C14C13O17109.1°110.0°
C14C13H6108.7°110.1°
C13C14H7106.6°110.1°
C03N08C20133.6°119.9°
C03N08H3113.2°120.1°
C13C12O16110.2°110.5°
C12C13O17116.3°110.0°
C13C12H5109.1°110.5°
C12C13H6108.4°110.0°
O16C12H5111.0°110.6°
C12O16H10109.5°114.0°
O17C13H6109.8°110.0°
C13O17H11109.5°114.0°
N08C20C21118.9°117.5°
N08C20C22114.3°117.5°
C20N08H3113.2°120.0°
N08C20H15117.9°115.6°
C21C20C2259.9°60.0°
C20C21C2259.9°60.0°
C21C20H15116.3°117.5°
C20C21H16120.0°117.5°
C20C21H17120.0°117.6°
C20C22C2160.2°60.0°
C22C20H15116.4°117.5°
C20C22H18120.0°117.5°
C20C22H19120.0°117.5°
C22C21H16120.0°117.5°
C22C21H17120.0°117.5°
C21C22H18120.0°117.5°
C21C22H19120.0°117.5°
H8C15H9109.5°110.6°
H12C18H13109.5°109.5°
H16C21H17109.4°115.5°
H18C22H19109.4°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C29C28C27H21180.0°179.6°
C28C29C30H22180.0°179.6°
C29C28C27C241.4°0.0°
C28C29C30C251.5°0.6°
C29C28C27H20178.5°180.0°
C28C29C30H23178.5°180.0°
C27C28C29C302.8°0.4°
C28C27C24H20180.0°180.0°
C28C27C24C251.3°0.0°
C28C27C24S23178.5°179.7°
C27C28C29H22177.3°180.0°
C29C30C25H23180.0°179.4°
C29C30C25C241.2°0.6°
C29C30C25N26173.9°179.7°
C30C29C28H21177.2°180.0°
C27C24C25C302.6°0.2°
C27C24C25S23177.7°179.8°
C27C24C25N26173.1°180.0°
C27C24S23C10172.7°179.7°
C24C27C28H21178.6°179.7°
C30C25C24N26175.7°179.8°
C30C25C24S23179.7°180.0°
C30C25N26C10176.9°179.9°
C25C30C29H22178.6°179.7°
C25C24S23C104.7°0.0°
C24C25N26C101.6°0.4°
C25C24C27H20178.7°180.0°
C24C25C30H23178.8°180.0°
S23C24C25N264.6°0.2°
C24S23C10N264.1°0.2°
C24S23C10C06169.1°180.0°
S23C24C27H201.5°0.3°
C25N26C10S232.2°0.4°
C25N26C10C06170.6°179.8°
N26C25C30H236.1°0.3°
S23C10N26C06172.8°179.8°
S23C10C06C0510.3°6.2°
S23C10C06C01168.9°173.8°
N26C10C06C05177.3°174.1°
N26C10C06C013.5°5.9°
C10C06C05O092.1°0.1°
C10C06C05C01179.2°180.0°
C10C06C05N04179.1°180.0°
C10C06C01N071.5°0.3°
C10C06C01N02179.1°180.0°
O09C05C06N04178.8°179.9°
O09C05C06C01178.6°179.9°
O09C05N04C03179.1°179.9°
O09C05N04H10.9°0.1°
C05C06C01N07179.2°179.7°
C05C06C01N020.1°0.0°
C06C05N04C030.3°0.0°
C06C05N04H1179.7°180.0°
C01C06C05N040.1°0.0°
C06C01N07N02179.4°179.7°
C06C01N07C11176.8°175.1°
C06C01N02C030.3°0.0°
C06C01N07H253.5°4.8°
C05N04C03H1180.0°180.0°
C05N04C03N020.7°0.0°
C05N04C03N08178.4°179.9°
C01N07C11H2123.4°180.0°
C01N07C11C15148.2°160.2°
C01N07C11C1237.3°86.4°
N07C01N02C03179.7°179.7°
C01N07C11H488.3°36.7°
C11N07C01N023.8°4.6°
N07C11C15C12120.8°118.3°
N07C11C15H4124.0°123.3°
N07C11C15C14167.7°156.3°
N07C11C12H4126.1°123.1°
N07C11C12C13162.5°156.3°
N07C11C12O1677.9°85.0°
N07C11C12H545.7°37.7°
N07C11C15H848.7°37.6°
N07C11C15H973.3°85.1°
C01N02C03N040.7°0.0°
C01N02C03N08178.4°179.9°
N02C01N07H2127.1°175.5°
C11C15C14H8119.0°118.7°
C11C15C14H9119.0°118.6°
C15C11C12H4115.2°118.6°
C11C15C14C18161.2°142.9°
C11C15C14C1333.2°23.7°
C15C11C12C1343.7°37.9°
C15C11C12O16163.4°156.7°
C15C11C12H573.0°80.7°
C11C15C14H779.9°95.7°
C11C15H8H9122.9°122.6°
C15C11N07H224.8°19.7°
C14C15C11C1246.8°38.0°
C15C14C18O1986.9°67.9°
C15C14C18C13124.0°117.1°
C15C14C18H7118.9°121.5°
C15C14C13H7113.2°119.4°
C15C14C13C125.4°0.1°
C15C14C13O17130.2°119.3°
C14C15C11H468.3°80.4°
C15C14C13H6110.1°119.3°
C14C15H8H9122.9°122.6°
C15C14C18H1232.9°172.1°
C15C14C18H13153.3°52.1°
C11C12C13C1424.3°23.5°
C11C12C13O16121.0°118.7°
C11C12C13H5116.9°118.6°
C11C12O16H5122.6°122.6°
C11C12C13O1795.8°95.7°
C11C12C13H6140.0°142.9°
C12C11C15H872.2°80.7°
C12C11C15H9165.8°156.6°
C11C12O16H10180.0°180.0°
C12C11N07H286.1°93.6°
N04C03N02N08177.7°180.0°
N04C03N08C2014.5°180.0°
N04C03N08H3165.5°0.1°
O19C18C14H12119.8°120.0°
O19C18C14H13119.8°120.0°
O19C18C14C13149.1°175.0°
O19C18C14H732.0°53.6°
O19C18H12H13120.6°120.0°
N02C03N08C20167.8°0.0°
N02C03N04H1179.3°180.0°
N02C03N08H312.2°179.9°
C18C14C13H7117.1°121.4°
C18C14C13C12135.1°119.3°
C18C14C13O17100.1°121.5°
C18C14C13H619.6°0.1°
C18C14C15H842.2°24.2°
C18C14C15H979.8°98.5°
C14C18H12H13120.6°120.0°
C14C18O19H14180.0°180.0°
C14C13C12O17120.1°119.2°
C14C13C12H6115.7°119.4°
C14C13C12O16145.4°142.3°
C14C13O17H6119.0°121.4°
C14C13C12H592.6°95.1°
C13C14C15H885.8°95.0°
C13C14C15H9152.2°142.3°
C14C13O17H11180.0°178.6°
C13C14C18H1291.1°55.0°
C13C14C18H1329.3°65.0°
C03N08C20H3180.0°179.9°
C03N08C20C21150.6°155.0°
C03N08C20C22141.6°136.4°
N08C03N04H11.6°0.0°
C03N08C20H150.7°9.4°
C13C12O16H5120.9°122.6°
C12C13O17H6123.5°121.4°
C13C12C11H471.5°80.6°
C12C13C14H7107.8°119.3°
C13C12O16H1063.5°65.2°
C12C13O17H1162.5°61.5°
O16C12C13O1725.3°23.0°
O16C12C11H448.2°38.1°
O16C12C13H698.9°98.4°
O17C13C12H5147.3°145.7°
O17C13C14H717.1°0.1°
N08C20C21C22102.9°107.5°
N08C20C21H15150.4°145.0°
N08C20C22H15142.9°145.1°
N08C20C21H166.5°0.1°
N08C20C21H17147.6°145.1°
N08C20C22H18139.9°145.0°
N08C20C22H191.0°0.0°
C21C20C22H15106.5°107.4°
C20C21C22H16109.4°107.6°
C20C21C22H17109.4°107.6°
C21C20N08H329.4°25.1°
C20C21H16H17144.8°145.8°
C21C20C22H18109.5°107.5°
C21C20C22H19109.6°107.5°
C22C20N08H338.4°43.5°
C20C22H18H19144.6°145.6°
C22C21H16H17144.8°145.5°
C21C22H18H19144.6°145.7°
H3N08C20H15179.3°170.7°
H4C11C12H5171.8°160.7°
H4C11C15H8172.7°160.9°
H4C11C15H950.6°38.2°
H4C11N07H2148.3°143.3°
H5C12C13H623.1°24.3°
H5C12O16H1057.4°57.4°
H6C13C14H7136.7°121.3°
H6C13O17H1161.0°59.9°
H7C14C15H8161.0°145.6°
H7C14C15H939.1°22.9°
H7C14C18H12151.8°66.4°
H7C14C18H1387.8°173.6°
H12C18O19H1460.2°60.0°
H13C18O19H1460.2°60.0°
H15C20C21H16143.9°145.1°
H15C20C21H172.8°0.1°
H15C20C22H183.0°0.1°
H15C20C22H19143.9°145.1°
H16C21C22H18141.0°145.0°
H16C21C22H190.1°0.1°
H17C21C22H180.1°0.1°
H17C21C22H19141.0°145.0°
H20C27C28H211.5°0.3°
H21C28C29H222.8°0.3°
H22C29C30H231.5°0.3°

226262

PDB entries from 2024-10-16

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