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SB3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.54Å
C1O1doub1.21Å1.32Å
C1O2sing1.34Å1.20Å
C2C3sing1.53Å1.53Å
C2N7sing1.47Å1.46Å
C2H2sing1.09Å1.12Å
C3C4sing1.53Å1.52Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.12Å
C4C5sing1.53Å1.52Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.12Å
C5C6sing1.53Å1.53Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.11Å
C6N7sing1.47Å1.50Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.11Å
N7C8sing1.35Å1.35Å
O2C15sing1.45Å2.73Å
C8O3doub1.21Å1.23Å
C8C9sing1.49Å1.54Å
C9O4doub1.21Å1.24Å
C9C10sing1.51Å1.54Å
C10C11sing1.53Å1.52Å
C10C13sing1.53Å1.57Å
C10C14sing1.53Å1.54Å
C11C12sing1.53Å1.54Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C12H123sing1.09Å1.11Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.11Å
C13H133sing1.09Å1.11Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.12Å
C14H143sing1.09Å1.12Å
C15C16sing1.53Å1.53Å
C15C24sing1.51Å1.55Å
C15H15sing1.09Å1.11Å
C16C17sing1.53Å1.53Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.12Å
C17C18sing1.51Å1.52Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18C19doub1.38Å1.32ÅAromatic
C18C23sing1.38Å1.32ÅAromatic
C19C20sing1.38Å1.32ÅAromatic
C19H19sing1.08Å1.10Å
C20C21doub1.38Å1.33ÅAromatic
C20H20sing1.08Å1.10Å
C21C22sing1.38Å1.32ÅAromatic
C21H21sing1.08Å1.10Å
C22C23doub1.38Å1.33ÅAromatic
C22H22sing1.08Å1.10Å
C23H23sing1.08Å1.10Å
C24C25doub1.38Å1.34ÅAromatic
C24C29sing1.38Å1.34ÅAromatic
C25C26sing1.38Å1.32ÅAromatic
C25H25sing1.08Å1.10Å
C26C27doub1.38Å1.32ÅAromatic
C26H26sing1.08Å1.10Å
C27C28sing1.38Å1.33ÅAromatic
C27H27sing1.08Å1.10Å
C28C29doub1.38Å1.33ÅAromatic
C28H28sing1.08Å1.10Å
C29H29sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O1115.8°120.1°
C2C1O2122.1°120.0°
C1C2C3113.9°109.6°
C1C2N7118.2°109.8°
C1C2H297.8°109.6°
O1C1O2121.9°119.9°
C1O2C1562.2°120.0°
C3C2N7102.2°109.0°
C3C2H2115.0°109.5°
C2C3C4115.9°109.4°
C2C3H31109.9°109.6°
C2C3H32109.9°109.3°
N7C2H2110.5°109.3°
C2N7C6111.9°118.7°
C2N7C8119.9°120.6°
C4C3H31109.9°109.5°
C4C3H32109.9°109.4°
C3C4C5108.2°109.6°
C3C4H41112.7°109.4°
C3C4H42112.7°109.5°
H31C3H32100.3°109.5°
C5C4H41112.7°109.5°
C5C4H42112.7°109.5°
C4C5C6106.1°109.3°
C4C5H51113.4°109.5°
C4C5H52113.4°109.5°
H41C4H4297.8°109.4°
C6C5H51113.5°109.5°
C6C5H52113.5°109.5°
C5C6N7112.0°108.8°
C5C6H61111.3°109.6°
C5C6H62111.3°109.6°
H51C5H5297.0°109.6°
N7C6H61111.3°109.6°
N7C6H62111.3°109.5°
C6N7C8123.5°120.6°
H61C6H6299.1°109.7°
N7C8O3118.2°120.0°
N7C8C9124.1°120.0°
O2C15C16101.3°109.5°
O2C15C24144.3°109.5°
O2C15H1589.0°109.5°
O3C8C9117.6°120.0°
C8C9O4118.3°119.9°
C8C9C10121.8°120.0°
O4C9C10119.6°120.0°
C9C10C11110.6°109.5°
C9C10C13112.9°109.5°
C9C10C14112.3°109.5°
C11C10C13106.0°109.4°
C11C10C14107.3°109.5°
C10C11C12114.0°109.5°
C10C11H111110.6°109.5°
C10C11H112110.5°109.5°
C13C10C14107.4°109.4°
C10C13H131112.9°109.5°
C10C13H132110.9°109.5°
C10C13H133110.9°109.5°
C10C14H141112.3°109.5°
C10C14H142111.1°109.5°
C10C14H143111.2°109.5°
C12C11H111110.6°109.4°
C12C11H112110.5°109.5°
C11C12H121114.0°109.5°
C11C12H122110.6°109.5°
C11C12H123110.6°109.5°
H111C11H11299.7°109.5°
H121C12H122110.5°109.4°
H121C12H123110.6°109.4°
H122C12H12399.7°109.5°
H131C13H132111.0°109.4°
H131C13H133110.9°109.4°
H132C13H13399.4°109.5°
H141C14H142111.2°109.5°
H141C14H143111.2°109.4°
H142C14H14399.1°109.4°
C16C15C24113.8°109.5°
C16C15H15161.3°109.5°
C15C16C17117.9°109.5°
C15C16H161109.2°109.5°
C15C16H162109.1°109.6°
C24C15H1559.6°109.4°
C15C24C25118.4°120.0°
C15C24C29122.8°120.0°
C17C16H161109.2°109.4°
C17C16H162109.2°109.5°
C16C17C18114.2°109.5°
C16C17H171110.5°109.4°
C16C17H172110.5°109.5°
H161C16H162100.9°109.4°
C18C17H171110.5°109.5°
C18C17H172110.5°109.5°
C17C18C19120.1°120.0°
C17C18C23119.8°120.0°
H171C17H17299.8°109.5°
C19C18C23119.0°120.0°
C18C19C20120.5°120.0°
C18C19H19119.9°120.0°
C18C23C22120.9°120.0°
C18C23H23119.4°120.0°
C20C19H19119.6°120.0°
C19C20C21120.4°120.0°
C19C20H20119.5°120.0°
C21C20H20120.1°120.0°
C20C21C22119.7°120.0°
C20C21H21120.5°120.0°
C22C21H21119.8°120.0°
C21C22C23119.6°120.0°
C21C22H22119.9°120.0°
C23C22H22120.5°120.0°
C22C23H23119.7°120.1°
C25C24C29118.7°120.0°
C24C25C26121.1°120.0°
C24C25H25120.0°120.0°
C24C29C28120.0°120.0°
C24C29H29120.4°120.0°
C26C25H25118.9°120.0°
C25C26C27119.6°120.0°
C25C26H26120.0°120.0°
C27C26H26120.3°120.0°
C26C27C28120.2°120.0°
C26C27H27119.7°120.0°
C28C27H27120.0°120.0°
C27C28C29120.3°120.0°
C27C28H28119.9°120.0°
C29C28H28119.8°120.0°
C28C29H29119.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O1O2175.7°180.0°
C1C2C3N7128.5°120.2°
C1C2C3H2111.8°120.3°
C1C2N7H2111.4°120.2°
C1C2C3C467.4°174.5°
C1C2C3H3157.9°65.4°
C1C2C3H32167.4°54.7°
C1C2N7C664.8°173.3°
C1C2N7C891.8°6.4°
C2C1O2C15173.5°180.0°
O1C1C2C3136.8°69.8°
O1C1C2N717.0°50.0°
O1C1C2H2101.3°170.0°
O1C1O2C152.0°0.0°
O2C1C2C338.9°110.2°
O2C1C2N7158.7°130.1°
O2C1C2H283.0°10.0°
C1O2C15C16104.7°150.0°
C1O2C15C2463.9°90.0°
C1O2C15H1590.9°30.0°
C3C2N7H2122.8°119.7°
C2C3C4H31125.3°120.2°
C2C3C4H32125.3°119.7°
C2C3H31H32115.7°119.9°
C2C3C4C560.8°61.2°
C2C3C4H4164.5°58.9°
C2C3C4H42173.9°178.7°
C3C2N7C661.0°53.3°
C3C2N7C8142.5°126.5°
N7C2C3C461.2°54.3°
N7C2C3H31173.6°174.5°
N7C2C3H3264.1°65.5°
C2N7C6C566.2°53.4°
C2N7C6C8155.6°179.7°
C2N7C6H6159.1°66.5°
C2N7C6H62168.6°173.2°
C2N7C8O311.0°25.5°
C2N7C8C9173.1°154.4°
H2C2C3C4179.1°65.2°
H2C2C3H3153.9°54.9°
H2C2C3H3255.6°175.0°
H2C2N7C6176.2°66.4°
H2C2N7C819.6°113.8°
C4C3H31H32115.7°120.0°
C3C4C5H41125.3°120.0°
C3C4C5H42125.2°120.1°
C3C4H41H42118.6°120.0°
C3C4C5C654.1°61.3°
C3C4C5H51179.4°178.8°
C3C4C5H5271.2°58.6°
H31C3C4C5173.9°178.6°
H31C3C4H4160.8°61.3°
H31C3C4H4248.7°58.5°
H32C3C4C564.5°58.6°
H32C3C4H41170.2°178.6°
H32C3C4H4260.8°61.5°
C5C4H41H42118.6°119.9°
C4C5C6H51125.2°119.9°
C4C5C6H52125.2°120.0°
C4C5H51H52119.3°120.1°
C4C5C6N758.8°54.6°
C4C5C6H6166.5°65.2°
C4C5C6H62176.0°174.4°
H41C4C5C671.2°58.7°
H41C4C5H5154.1°61.2°
H41C4C5H52163.5°178.6°
H42C4C5C6179.3°178.5°
H42C4C5H5155.4°58.6°
H42C4C5H5254.0°61.5°
C6C5H51H52119.5°120.1°
C5C6N7H61125.2°119.9°
C5C6N7H62125.2°119.8°
C5C6H61H62117.2°120.4°
C5C6N7C8138.3°126.4°
H51C5C6N7176.0°174.6°
H51C5C6H6158.8°54.8°
H51C5C6H6250.8°65.7°
H52C5C6N766.5°65.3°
H52C5C6H61168.3°174.9°
H52C5C6H6258.8°54.4°
N7C6H61H62117.2°120.3°
C6N7C8O3164.8°154.7°
C6N7C8C919.4°25.3°
H61C6N7C896.5°113.8°
H62C6N7C813.0°6.6°
N7C8O3C9176.2°180.0°
N7C8C9O472.6°6.6°
N7C8C9C10112.7°173.4°
O2C15C16C24172.8°120.0°
O2C15C16H15122.4°120.0°
O2C15C24H1531.8°120.0°
O2C15C16C17112.9°60.1°
O2C15C16H161121.8°180.0°
O2C15C16H16212.3°60.0°
O2C15C24C2539.5°30.0°
O2C15C24C29143.1°150.3°
O3C8C9O4103.3°173.3°
O3C8C9C1071.4°6.7°
C8C9O4C10174.8°180.0°
C8C9C10C1159.5°179.9°
C8C9C10C1359.1°60.0°
C8C9C10C14179.3°60.0°
O4C9C10C11125.9°0.1°
O4C9C10C13115.5°120.0°
O4C9C10C146.1°120.0°
C9C10C11C13122.7°120.0°
C9C10C11C14122.8°120.1°
C9C10C13C14124.4°120.0°
C9C10C11C1268.2°180.0°
C9C10C11H111166.5°60.0°
C9C10C11H11257.0°60.0°
C9C10C13H131180.0°60.0°
C9C10C13H13254.7°180.0°
C9C10C13H13354.7°59.9°
C9C10C14H141180.0°60.1°
C9C10C14H14254.7°60.0°
C9C10C14H14354.7°180.0°
C11C10C13C14114.4°120.0°
C10C11C12H111125.3°120.0°
C10C11C12H112125.2°120.1°
C10C11H111H112116.4°120.0°
C10C11C12H121180.0°180.0°
C10C11C12H12254.7°60.0°
C10C11C12H12354.7°60.1°
C11C10C13H13158.7°60.0°
C11C10C13H132175.9°60.0°
C11C10C13H13366.5°180.0°
C11C10C14H14158.3°60.0°
C11C10C14H14267.0°179.9°
C11C10C14H143176.4°59.9°
C13C10C11C12169.0°60.0°
C13C10C11H11143.7°180.0°
C13C10C11H11265.8°60.0°
C10C13H131H132125.3°120.0°
C10C13H131H133125.3°120.0°
C10C13H132H133116.8°120.1°
C13C10C14H14155.3°179.9°
C13C10C14H142179.4°60.0°
C13C10C14H14370.1°60.1°
C14C10C11C1254.5°59.9°
C14C10C11H11170.8°60.0°
C14C10C11H112179.7°180.0°
C14C10C13H13155.7°179.9°
C14C10C13H13269.6°60.1°
C14C10C13H133179.1°60.0°
C10C14H141H142125.2°120.1°
C10C14H141H143125.3°120.0°
C10C14H142H143117.0°120.0°
C12C11H111H112116.4°120.0°
C11C12H121H122125.3°120.1°
C11C12H121H123125.3°120.0°
C11C12H122H123116.4°120.0°
H111C11C12H12154.7°60.0°
H111C11C12H122180.0°60.0°
H111C11C12H12370.6°179.9°
H112C11C12H12154.7°60.0°
H112C11C12H12270.5°180.0°
H112C11C12H123179.9°60.0°
H121C12H122H123116.4°119.9°
H131C13H132H133116.8°119.9°
H141C14H142H143117.1°119.9°
C16C15C24H15160.4°120.0°
C15C16C17H161125.3°120.0°
C15C16C17H162125.2°120.1°
C15C16H161H162114.9°120.1°
C15C16C17C18139.3°180.0°
C15C16C17H17114.1°60.0°
C15C16C17H17295.4°59.9°
C16C15C24C25152.6°90.0°
C16C15C24C2924.8°89.7°
C24C15C16C1774.3°179.9°
C24C15C16H16151.0°60.0°
C24C15C16H162160.5°60.0°
C15C24C25C29177.5°179.7°
C15C24C25C26177.1°180.0°
C15C24C25H252.9°0.0°
C15C24C29C28177.0°179.8°
C15C24C29H293.0°0.3°
H15C15C16C179.5°60.0°
H15C15C16H161115.8°60.0°
H15C15C16H162134.7°179.9°
H15C15C24C257.7°150.0°
H15C15C24C29174.8°30.3°
C17C16H161H162114.9°120.0°
C16C17C18H171125.2°119.9°
C16C17C18H172125.3°120.0°
C16C17H171H172116.3°119.9°
C16C17C18C1992.0°90.0°
C16C17C18C2376.3°90.3°
H161C16C17C1895.4°60.0°
H161C16C17H171139.4°180.0°
H161C16C17H17229.9°60.0°
H162C16C17C1814.1°59.9°
H162C16C17H171111.1°60.1°
H162C16C17H172139.4°180.0°
C18C17H171H172116.3°120.1°
C17C18C19C23168.4°179.7°
C17C18C19C20167.0°180.0°
C17C18C19H1913.0°0.0°
C17C18C23C22166.9°179.8°
C17C18C23H2313.1°0.3°
H171C17C18C19142.8°30.0°
H171C17C18C2348.9°149.7°
H172C17C18C1933.3°150.0°
H172C17C18C23158.4°29.7°
C18C19C20H19180.0°180.0°
C18C19C20C210.4°0.0°
C18C19C20H20179.6°179.9°
C19C18C23C221.6°0.5°
C19C18C23H23178.4°180.0°
C23C18C19C201.4°0.3°
C23C18C19H19178.5°179.7°
C18C23C22C210.7°0.4°
C18C23C22H23180.0°179.5°
C18C23C22H22179.3°179.7°
C19C20C21H20180.0°179.9°
C19C20C21C220.5°0.1°
C19C20C21H21179.5°180.0°
H19C19C20C21179.5°179.9°
H19C19C20H200.4°0.0°
C20C21C22H21180.0°179.9°
C20C21C22C230.4°0.1°
C20C21C22H22179.6°180.0°
H20C20C21C22179.5°180.0°
H20C20C21H210.5°0.1°
C21C22C23H22180.0°179.8°
C21C22C23H23179.3°180.0°
H21C21C22C23179.6°179.8°
H21C21C22H220.4°0.1°
H22C22C23H230.7°0.2°
C24C25C26H25180.0°179.9°
C24C25C26C270.3°0.0°
C24C25C26H26179.7°180.0°
C25C24C29C280.4°0.5°
C25C24C29H29179.6°180.0°
C29C24C25C260.5°0.2°
C29C24C25H25179.5°179.7°
C24C29C28C270.2°0.4°
C24C29C28H29180.0°179.5°
C24C29C28H28179.8°179.7°
C25C26C27H26180.0°180.0°
C25C26C27C280.0°0.1°
C25C26C27H27179.9°180.0°
H25C25C26C27179.7°180.0°
H25C25C26H260.3°0.0°
C26C27C28H27180.0°179.9°
C26C27C28C290.0°0.2°
C26C27C28H28180.0°180.0°
H26C26C27C28179.9°179.9°
H26C26C27H270.1°0.0°
C27C28C29H28180.0°179.9°
C27C28C29H29179.8°180.0°
H27C27C28C29180.0°179.8°
H27C27C28H280.0°0.1°
H28C28C29H290.2°0.2°

221051

PDB entries from 2024-06-12

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