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9MC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5sing1.54Å1.51Å
C4C3sing1.54Å1.57Å
C5C2sing1.55Å1.56Å
C3C1sing1.54Å1.56Å
C7C8doub1.38Å1.42ÅAromatic
C7C6sing1.38Å1.43ÅAromatic
C2C1sing1.55Å1.53Å
O1C13sing1.43Å1.41Å
C8C17sing1.39Å1.44ÅAromatic
C1C6sing1.51Å1.53Å
C13C14sing1.53Å1.56Å
C6C20doub1.38Å1.43ÅAromatic
C10C16doub1.38Å1.43ÅAromatic
C10C9sing1.39Å1.37ÅAromatic
C16C15sing1.38Å1.43ÅAromatic
C17C9sing1.48Å1.45Å
C17C18doub1.39Å1.42ÅAromatic
C9C11doub1.39Å1.42ÅAromatic
C14S1sing1.81Å1.82Å
C20C18sing1.38Å1.41ÅAromatic
C20C19sing1.51Å1.51Å
O2S1doub1.42Å1.42Å
C15S1sing1.76Å1.76Å
C15C12doub1.38Å1.38ÅAromatic
S1O3doub1.42Å1.51Å
C11C12sing1.38Å1.39ÅAromatic
C26N1doub1.32Å1.38ÅAromatic
C26C25sing1.38Å1.41ÅAromatic
N1C22sing1.32Å1.36ÅAromatic
C19C21sing1.53Å1.51Å
C19C27sing1.53Å1.53Å
C21C27sing1.53Å1.51Å
C25C24doub1.39Å1.43ÅAromatic
C22C27sing1.51Å1.53Å
C22C23doub1.38Å1.43ÅAromatic
C24C23sing1.39Å1.40ÅAromatic
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C12H3sing1.08Å1.08Å
C13H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C18H8sing1.08Å1.08Å
C19H9sing1.09Å1.10Å
C5H10sing1.09Å1.10Å
C5H11sing1.09Å1.10Å
C7H12sing1.08Å1.08Å
O1H13sing0.97Å0.95Å
C16H14sing1.08Å1.08Å
C10H15sing1.08Å1.08Å
C11H16sing1.08Å1.08Å
C8H17sing1.08Å1.08Å
C1H18sing1.09Å1.10Å
C3H19sing1.09Å1.10Å
C3H20sing1.09Å1.10Å
C4H21sing1.09Å1.10Å
C4H22sing1.09Å1.10Å
C27H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
C23H26sing1.08Å1.08Å
C24H27sing1.08Å1.08Å
C25H28sing1.08Å1.08Å
C26H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4C3106.6°106.6°
C4C5C2108.4°104.2°
C4C5H10109.7°110.5°
C4C5H11109.7°110.6°
C5C4H21110.2°110.0°
C5C4H22110.2°110.0°
C4C3C1103.1°106.6°
C4C3H19111.0°110.0°
C4C3H20111.0°110.1°
C3C4H21110.2°110.0°
C3C4H22110.2°110.0°
C5C2C1102.9°102.8°
C5C2H1111.1°110.7°
C5C2H2111.1°110.9°
C2C5H10109.7°110.5°
C2C5H11109.8°110.5°
C3C1C2104.9°104.2°
C3C1C6115.1°110.5°
C3C1H18107.5°110.6°
C1C3H19111.1°110.0°
C1C3H20111.1°110.1°
C8C7C6124.1°120.1°
C7C8C17117.8°119.8°
C8C7H12117.9°119.9°
C7C8H17121.1°120.1°
C7C6C1121.2°119.9°
C7C6C20117.3°120.3°
C6C7H12117.9°119.9°
C2C1C6113.5°110.5°
C1C2H1111.1°110.7°
C1C2H2111.1°110.8°
C2C1H18107.8°110.4°
O1C13C14104.6°109.4°
O1C13H4110.7°109.5°
O1C13H5110.7°109.5°
C13O1H13109.5°114.0°
C8C17C9122.6°120.1°
C8C17C18117.9°119.8°
C17C8H17121.1°120.0°
C1C6C20121.5°119.8°
C6C1H18107.8°110.5°
C13C14S1117.7°109.5°
C14C13H4110.7°109.5°
C14C13H5110.6°109.4°
C13C14H6107.4°109.5°
C13C14H7107.4°109.5°
C6C20C18118.5°120.1°
C6C20C19120.8°120.0°
C16C10C9123.9°119.9°
C10C16C15115.5°120.1°
C10C16H14122.3°119.9°
C16C10H15118.1°120.1°
C10C9C17120.5°120.1°
C10C9C11118.9°119.8°
C9C10H15118.1°120.0°
C16C15S1118.9°119.9°
C16C15C12120.5°120.3°
C15C16H14122.3°120.0°
C9C17C18119.5°120.1°
C17C9C11120.3°120.1°
C17C18C20124.1°119.9°
C17C18H8118.0°120.0°
C9C11C12118.5°119.9°
C9C11H16120.7°120.1°
C14S1O2105.3°110.5°
C14S1C15109.9°104.4°
C14S1O3105.7°110.5°
S1C14H6107.4°109.5°
S1C14H7107.4°109.5°
C18C20C19120.7°119.9°
C20C18H8117.9°120.1°
C20C19C21124.4°117.5°
C20C19C27119.7°117.5°
C20C19H9114.2°115.6°
O2S1C15104.8°104.3°
O2S1O3123.4°121.1°
S1C15C12120.6°119.9°
C15S1O3107.4°104.3°
C15C12C11122.5°120.1°
C15C12H3118.7°120.0°
C11C12H3118.7°120.0°
C12C11H16120.7°120.0°
N1C26C25127.7°120.8°
C26N1C22118.2°121.7°
N1C26H29116.2°119.6°
C26C25C24113.2°119.1°
C26C25H28123.4°120.5°
C25C26H29116.2°119.6°
N1C22C27120.1°119.6°
N1C22C23118.4°120.8°
C21C19C2759.7°60.0°
C19C21C2760.9°60.0°
C21C19H9114.2°117.4°
C19C21H24119.9°117.5°
C19C21H25119.9°117.5°
C19C27C2159.5°60.0°
C19C27C22123.2°117.5°
C27C19H9113.8°117.5°
C19C27H23112.6°117.5°
C21C27C22126.1°117.5°
C21C27H23112.9°117.5°
C27C21H24119.8°117.5°
C27C21H25119.9°117.5°
C25C24C23120.5°118.4°
C25C24H27119.7°120.8°
C24C25H28123.4°120.4°
C27C22C23121.3°119.6°
C22C27H23112.6°115.6°
C22C23C24122.0°119.2°
C22C23H26119.0°120.4°
C24C23H26119.0°120.4°
C23C24H27119.8°120.8°
H1C2H2109.5°110.7°
H4C13H5109.5°109.5°
H6C14H7109.4°109.5°
H10C5H11109.5°110.5°
H19C3H20109.4°110.0°
H21C4H22109.5°110.1°
H24C21H25109.4°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4C3H21119.6°119.2°
C5C4C3H22119.5°119.3°
C4C5C2H10119.8°118.6°
C4C5C2H11119.8°118.8°
C5C4C3C121.6°0.0°
C4C5C2C122.8°37.9°
C4C5C2H196.2°80.4°
C4C5C2H2141.7°156.3°
C4C5H10H11120.5°122.7°
C5C4C3H19140.6°119.3°
C5C4C3H2097.4°119.4°
C5C4H21H22121.3°121.5°
C3C4C5C20.5°23.6°
C4C3C1H19119.0°119.3°
C4C3C1H20119.0°119.4°
C4C3C1C236.2°23.5°
C4C3C1C6161.6°142.3°
C3C4C5H10120.3°95.0°
C3C4C5H11119.4°142.3°
C4C3C1H1878.3°95.1°
C4C3H19H20122.9°121.4°
C3C4H21H22121.3°121.4°
C5C2C1C336.2°37.9°
C5C2C1H1118.9°118.2°
C5C2C1H2119.0°118.5°
C5C2C1C6162.7°156.6°
C5C2H1H2123.1°123.4°
C2C5H10H11120.5°122.6°
C5C2C1H1878.1°80.9°
C2C5C4H21120.0°142.8°
C2C5C4H22119.1°95.7°
C3C1C6C760.2°54.8°
C3C1C2C6126.4°118.7°
C3C1C2H18114.3°118.7°
C3C1C6H18119.9°122.7°
C3C1C6C20117.6°125.2°
C3C1C2H182.7°80.4°
C3C1C2H2155.2°156.4°
C1C3H19H20123.0°121.4°
C1C3C4H2198.0°119.3°
C1C3C4H22141.1°119.2°
C8C7C6H12180.0°179.5°
C7C8C17H17180.0°179.5°
C8C7C6C1176.7°179.7°
C8C7C6C205.5°0.3°
C7C8C17C9178.2°179.7°
C7C8C17C183.9°0.5°
C7C6C1C260.7°60.1°
C6C7C8C175.4°0.5°
C7C6C1C20177.7°180.0°
C7C6C20C184.2°0.0°
C7C6C20C19177.9°180.0°
C6C7C8H17174.6°180.0°
C7C6C1H18180.0°177.4°
C2C1C6H18119.3°122.5°
C2C1C6C20121.6°120.0°
C1C2H1H2123.0°123.3°
C1C2C5H10142.6°80.7°
C1C2C5H1197.1°156.7°
C2C1C3H19155.1°95.7°
C2C1C3H2082.8°143.0°
O1C13C14H4119.2°120.0°
O1C13C14H5119.2°120.0°
O1C13C14S179.5°180.0°
O1C13H4H5122.3°120.1°
O1C13C14H641.7°60.0°
O1C13C14H7159.3°60.0°
C8C17C9C1014.0°179.7°
C8C17C9C18177.9°179.8°
C8C17C9C11160.1°0.2°
C8C17C18C203.1°0.2°
C8C17C18H8176.9°179.7°
C17C8C7H12174.6°180.0°
C1C6C20C18178.0°180.0°
C1C6C20C190.1°0.0°
C6C1C2H143.7°38.4°
C6C1C2H278.4°84.8°
C1C6C7H123.3°0.2°
C6C1C3H1979.4°23.0°
C6C1C3H2042.6°98.3°
C13C14S1H6121.2°120.0°
C13C14S1H7121.2°120.0°
C13C14S1O240.7°68.3°
C13C14S1C1571.6°180.0°
C13C14S1O3172.8°68.4°
C14C13H4H5122.2°119.9°
C13C14H6H7116.3°120.0°
C14C13O1H13180.0°180.0°
C6C20C18C173.3°0.0°
C6C20C18C19177.9°180.0°
C6C20C19C2162.0°171.4°
C6C20C19C27133.6°120.0°
C6C20C18H8176.7°180.0°
C6C20C19H986.5°25.7°
C20C6C7H12174.5°179.8°
C20C6C1H182.3°2.5°
C16C10C9H15180.0°179.9°
C10C16C15H14180.0°179.9°
C16C10C9C17178.6°179.7°
C16C10C9C114.4°0.2°
C10C16C15S1177.8°180.0°
C10C16C15C121.8°0.1°
C9C10C16C151.5°0.1°
C10C9C17C11174.1°179.5°
C10C9C17C18163.9°0.5°
C10C9C11C124.0°0.5°
C9C10C16H14178.5°180.0°
C10C9C11H16176.0°180.0°
C16C15S1C1485.4°90.0°
C16C15S1O227.2°26.1°
C16C15S1C12179.6°180.0°
C16C15S1O3160.1°154.0°
C16C15C12C112.0°0.3°
C16C15C12H3178.0°179.9°
C15C16C10H15178.5°180.0°
C9C17C18C20178.9°180.0°
C17C9C11C12178.2°180.0°
C9C17C18H81.1°0.1°
C17C9C10H151.4°0.2°
C17C9C11H161.8°0.5°
C9C17C8H171.8°0.2°
C18C17C9C1122.0°180.0°
C17C18C20H8180.0°180.0°
C17C18C20C19178.8°180.0°
C18C17C8H17176.1°180.0°
C9C11C12C150.9°0.6°
C9C11C12H16180.0°179.4°
C9C11C12H3179.1°179.8°
C11C9C10H15175.6°179.7°
C14S1O2C15115.9°111.7°
C14S1O2O3121.1°131.5°
C14S1C15O3114.5°116.0°
C14S1C15C1295.0°90.0°
S1C14C13H4161.3°60.0°
S1C14C13H539.8°60.0°
S1C14H6H7116.3°120.0°
C18C20C19C21120.2°8.6°
C18C20C19C2748.6°60.0°
C18C20C19H991.4°154.3°
C20C19C21C27107.1°107.5°
C20C19C21H9148.4°145.0°
C20C19C27H9140.1°145.1°
C20C19C27C220.8°0.0°
C19C20C18H81.2°0.0°
C20C19C27H23141.1°145.0°
C20C19C21H24143.2°145.0°
C20C19C21H252.6°0.0°
O2S1C15O3132.8°127.9°
O2S1C15C12152.3°154.0°
O2S1C14H6161.9°51.6°
O2S1C14H780.5°171.7°
S1C15C12C11177.5°179.7°
S1C15C12H32.5°0.0°
C15S1C14H649.5°60.0°
C15S1C14H7167.2°60.0°
S1C15C16H142.2°0.0°
C12C15S1O319.5°26.0°
C15C12C11H3180.0°179.7°
C12C15C16H14178.2°180.0°
C15C12C11H16179.1°180.0°
O3S1C14H666.0°171.6°
O3S1C14H751.6°51.6°
N1C26C25H29180.0°179.9°
N1C26C25C244.2°0.0°
C26N1C22C27173.4°180.0°
C26N1C22C231.2°0.0°
N1C26C25H28175.7°180.0°
C25C26N1C224.8°0.0°
C26C25C24H28180.0°180.0°
C26C25C24C230.3°0.0°
C26C25C24H27179.7°179.9°
N1C22C27C1951.5°95.0°
N1C22C27C2122.6°163.6°
N1C22C27C23174.4°180.0°
N1C22C23C242.3°0.0°
N1C22C27H23168.2°50.7°
N1C22C23H26177.7°180.0°
C22N1C26H29175.2°180.0°
C21C19C27H9105.1°107.4°
C19C21C27H24109.7°107.5°
C19C21C27H25109.7°107.5°
C19C21C27C22110.9°107.5°
C21C19C27H23104.1°107.5°
C19C21H24H25144.3°145.7°
C19C27C22H23140.3°145.6°
C19C27C22C23122.9°85.0°
C21C27C22H23145.6°145.7°
C21C27C22C23163.1°16.4°
C27C21H24H25144.2°145.7°
C25C24C23C222.8°0.0°
C25C24C23H27180.0°179.9°
C25C24C23H26177.3°180.0°
C24C25C26H29175.8°179.9°
C27C22C23C24176.8°180.0°
C22C27C19H9139.3°145.0°
C22C27C21H24139.4°145.1°
C22C27C21H251.1°0.0°
C27C22C23H263.2°0.1°
C22C23C24H26180.0°180.0°
C23C22C27H2317.4°129.4°
C22C23C24H27177.2°180.0°
C23C24C25H28179.7°180.0°
H1C2C5H1023.6°161.0°
H1C2C5H11144.0°38.4°
H1C2C1H18163.0°160.9°
H2C2C5H1098.5°37.7°
H2C2C5H1121.8°84.9°
H2C2C1H1840.9°37.7°
H3C12C11H160.9°0.3°
H4C13C14H677.5°60.0°
H4C13C14H740.1°180.0°
H4C13O1H1360.8°60.1°
H5C13C14H6161.0°180.0°
H5C13C14H781.4°60.0°
H5C13O1H1360.8°60.0°
H9C19C27H231.0°0.1°
H9C19C21H245.2°0.0°
H9C19C21H25145.8°145.1°
H10C5C4H21120.1°24.2°
H10C5C4H220.8°145.7°
H11C5C4H210.2°98.4°
H11C5C4H22121.1°23.1°
H12C7C8H175.3°0.5°
H14C16C10H151.5°0.1°
H18C1C3H1940.6°145.6°
H18C1C3H20162.7°24.3°
H19C3C4H2121.0°121.5°
H19C3C4H2299.9°0.0°
H20C3C4H21143.0°0.1°
H20C3C4H2222.1°121.4°
H23C27C21H246.1°0.0°
H23C27C21H25146.7°145.0°
H26C23C24H272.7°0.0°
H27C24C25H280.3°0.0°
H28C25C26H294.2°0.1°

217705

PDB entries from 2024-03-27

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