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4C6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C5sing1.51Å1.49Å
C5N1doub1.30Å1.30ÅAromatic
C5C2sing1.41Å1.40ÅAromatic
N1O1sing1.21Å1.42ÅAromatic
OCdoub1.22Å1.21Å
O2Sdoub1.42Å1.42Å
C2Ssing1.76Å1.71Å
C2C3doub1.36Å1.40ÅAromatic
O1C3sing1.34Å1.33ÅAromatic
SO3doub1.42Å1.42Å
SNsing1.66Å1.60Å
CC21sing1.48Å1.50Å
CC1sing1.47Å1.46Å
C3C4sing1.51Å1.46Å
O4C21doub1.22Å1.21Å
C21C7sing1.47Å1.45Å
C1Nsing1.37Å1.41Å
C1C7doub1.40Å1.41Å
C7N2sing1.37Å1.30Å
N2C20sing1.47Å1.46Å
N2C8sing1.47Å1.46Å
C20C19sing1.53Å1.53Å
C8C9sing1.53Å1.51Å
C19C10sing1.53Å1.53Å
C9C10sing1.53Å1.51Å
C10C11sing1.53Å1.53Å
C11C12sing1.51Å1.50Å
C13C12doub1.38Å1.38ÅAromatic
C13C14sing1.38Å1.38ÅAromatic
C12C18sing1.38Å1.39ÅAromatic
C14C15doub1.38Å1.39ÅAromatic
C18C17doub1.38Å1.38ÅAromatic
C15C17sing1.38Å1.40ÅAromatic
C15C16sing1.51Å1.51Å
C8H1sing1.09Å1.10Å
C8H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C13H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
NH17sing0.97Å1.00Å
C6H18sing1.09Å1.10Å
C6H19sing1.09Å1.10Å
C6H20sing1.09Å1.10Å
C4H21sing1.09Å1.10Å
C4H22sing1.09Å1.10Å
C4H23sing1.09Å1.10Å
C18H24sing1.08Å1.08Å
C17H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C5N1120.2°126.8°
C6C5C2128.5°126.8°
C5C6H18109.5°109.5°
C5C6H19109.4°109.5°
C5C6H20109.5°109.5°
N1C5C2111.2°106.4°
C5N1O1106.2°111.6°
C5C2S135.5°128.0°
C5C2C3105.3°104.0°
N1O1C3109.2°111.5°
OCC21135.9°135.8°
OCC1135.8°135.8°
O2SC2106.1°106.4°
O2SO3119.2°123.1°
O2SN105.3°106.5°
SC2C3118.3°128.0°
C2SO3109.3°106.4°
C2SN104.4°107.2°
C2C3O1107.6°106.4°
C2C3C4133.9°126.8°
O1C3C4117.8°126.8°
O3SN111.4°106.4°
SNC1124.1°120.0°
SNH17105.7°120.0°
C21CC188.3°88.4°
CC21O4135.9°135.7°
CC21C788.2°88.4°
CC1N134.3°134.2°
CC1C791.4°91.6°
C3C4H21109.5°109.5°
C3C4H22109.5°109.4°
C3C4H23109.5°109.4°
O4C21C7135.9°135.9°
C21C7C192.2°91.6°
C21C7N2130.7°134.1°
NC1C7134.3°134.2°
C1NH17105.7°120.0°
C1C7N2137.1°134.2°
C7N2C20121.9°120.7°
C7N2C8124.1°120.6°
C20N2C8111.5°118.7°
N2C20C19111.6°108.8°
N2C20H15108.9°109.6°
N2C20H16108.9°109.7°
N2C8C9111.2°108.8°
N2C8H1109.0°109.6°
N2C8H2109.0°109.7°
C20C19C10111.4°109.3°
C20C19H13109.0°109.5°
C20C19H14109.0°109.5°
C19C20H15108.9°109.6°
C19C20H16108.9°109.6°
C8C9C10113.4°109.3°
C9C8H1109.0°109.6°
C9C8H2109.0°109.6°
C8C9H3108.5°109.5°
C8C9H4108.5°109.5°
C19C10C9108.8°109.5°
C19C10C11111.5°109.5°
C19C10H5108.3°109.5°
C10C19H13109.0°109.5°
C10C19H14109.0°109.5°
C9C10C11111.4°109.5°
C10C9H3108.5°109.5°
C10C9H4108.5°109.5°
C9C10H5108.5°109.5°
C10C11C12114.4°109.5°
C11C10H5108.2°109.4°
C10C11H6108.2°109.5°
C10C11H7108.2°109.5°
C11C12C13120.4°120.0°
C11C12C18120.6°120.0°
C12C11H6108.2°109.5°
C12C11H7108.2°109.5°
C12C13C14120.6°120.0°
C13C12C18119.0°120.0°
C12C13H8119.7°120.0°
C13C14C15121.2°120.0°
C14C13H8119.7°120.0°
C13C14H9119.4°120.0°
C12C18C17120.5°120.0°
C12C18H24119.7°120.0°
C14C15C17117.7°120.0°
C14C15C16120.9°120.0°
C15C14H9119.4°120.0°
C18C17C15121.0°120.0°
C17C18H24119.8°120.0°
C18C17H25119.5°120.0°
C17C15C16121.4°120.0°
C15C17H25119.5°120.0°
C15C16H10109.5°109.5°
C15C16H11109.4°109.5°
C15C16H12109.4°109.5°
H1C8H2109.5°109.6°
H3C9H4109.5°109.5°
H6C11H7109.5°109.4°
H10C16H11109.5°109.5°
H10C16H12109.5°109.4°
H11C16H12109.5°109.5°
H13C19H14109.4°109.5°
H15C20H16109.5°109.6°
H18C6H19109.5°109.5°
H18C6H20109.4°109.4°
H19C6H20109.5°109.5°
H21C4H22109.5°109.5°
H21C4H23109.4°109.5°
H22C4H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C5N1C2176.8°179.9°
C6C5N1O1179.6°179.9°
C6C5C2S8.5°0.2°
C6C5C2C3176.9°179.9°
C5C6H18H19120.0°120.0°
C5C6H18H20120.0°120.0°
C5C6H19H20120.0°120.0°
N1C5C2S175.0°179.9°
N1C5C2C36.6°0.2°
C5N1O1C32.3°0.0°
N1C5C6H180.0°83.1°
N1C5C6H19120.0°156.9°
N1C5C6H20120.0°36.9°
C2C5N1O12.8°0.2°
C5C2SO215.1°0.8°
C5C2SC3167.3°179.6°
C5C2C3O17.8°0.2°
C5C2SO3114.6°132.0°
C5C2SN126.1°114.4°
C5C2C3C4177.2°179.8°
C2C5C6H18176.2°96.8°
C2C5C6H1956.2°23.2°
C2C5C6H2063.8°143.2°
N1O1C3C26.4°0.2°
N1O1C3C4177.8°179.9°
OCC21C1180.0°180.0°
OCC21O40.1°0.1°
OCC21C7180.0°179.7°
OCC1N0.7°0.0°
OCC1C7180.0°179.7°
O2SC2O3129.7°132.8°
O2SC2N111.0°113.6°
O2SC2C3177.6°178.8°
O2SO3N123.0°123.0°
O2SNC149.6°48.1°
O2SNH17171.6°131.8°
SC2C3O1178.6°179.9°
C2SO3N114.8°114.1°
SC2C3C412.0°0.1°
C2SNC161.9°65.4°
C2SNH1760.1°114.6°
C2C3O1C4171.4°179.9°
C3C2SO352.7°48.4°
C3C2SN66.6°65.2°
C2C3C4H21168.6°89.9°
C2C3C4H2271.4°150.0°
C2C3C4H2348.6°30.1°
O1C3C4H210.0°90.0°
O1C3C4H22120.0°30.0°
O1C3C4H23120.0°149.9°
O3SNC1179.7°178.9°
O3SNH1757.8°1.1°
SNC1C2.9°5.7°
SNC1H17122.0°180.0°
SNC1C7178.1°174.7°
CC21O4C7179.8°179.7°
C21CC1N179.3°180.0°
C21CC1C70.1°0.2°
CC21C7N2179.9°179.7°
C1CC21O4179.9°180.0°
CC1NC7179.0°179.6°
CC1C7N2179.9°179.7°
CC1NH17119.1°174.3°
C3C4H21H22120.0°120.0°
C3C4H21H23120.0°120.0°
C3C4H22H23120.0°119.9°
O4C21C7C1179.9°179.9°
O4C21C7N20.0°0.1°
C21C7C1N179.3°180.0°
C21C7C1N2179.9°179.9°
C21C7N2C200.0°5.9°
C21C7N2C8160.0°174.2°
NC1C7N20.6°0.0°
C1C7N2C20179.9°174.2°
C1C7N2C820.1°5.7°
C7C1NH1759.9°5.3°
C7N2C20C8162.3°179.9°
C7N2C20C19140.1°126.3°
C7N2C8C9141.2°126.3°
C7N2C8H121.0°113.9°
C7N2C8H298.5°6.4°
C7N2C20H1599.5°6.5°
C7N2C20H1619.8°113.8°
N2C20C19H15120.3°119.8°
N2C20C19H16120.3°120.0°
C20N2C8C957.0°53.5°
N2C20C19C1055.7°54.6°
C20N2C8H1177.2°66.2°
C20N2C8H263.3°173.4°
N2C20C19H13176.0°65.3°
N2C20C19H1464.7°174.6°
N2C20H15H16119.0°120.4°
C8N2C20C1957.6°53.6°
N2C8C9H1120.3°119.7°
N2C8C9H2120.3°120.0°
N2C8C9C1055.8°54.6°
N2C8H1H2119.2°120.4°
N2C8C9H364.8°65.4°
N2C8C9H4176.3°174.6°
C8N2C20H1562.7°173.4°
C8N2C20H16177.9°66.3°
C20C19C10H13120.3°119.9°
C20C19C10H14120.3°120.0°
C20C19C10C952.0°61.4°
C20C19C10C11175.3°178.6°
C20C19C10H565.8°58.7°
C20C19H13H14119.1°120.1°
C19C20H15H16119.0°120.3°
C8C9C10C1952.7°61.4°
C8C9C10H3120.6°120.0°
C8C9C10H4120.5°119.9°
C8C9C10C11176.0°178.6°
C9C8H1H2119.2°120.3°
C8C9H3H4118.2°120.1°
C8C9C10H565.0°58.7°
C19C10C9C11123.4°120.0°
C19C10C9H5117.6°120.0°
C19C10C11H5119.0°120.0°
C19C10C11C12175.2°64.9°
C19C10C9H367.9°58.6°
C19C10C9H4173.2°178.7°
C19C10C11H654.5°55.0°
C19C10C11H764.1°175.1°
C10C19H13H14119.1°120.1°
C10C19C20H1564.7°174.4°
C10C19C20H16176.0°65.3°
C9C10C11H5119.2°120.0°
C9C10C11C1263.0°175.0°
C10C9C8H1176.0°65.1°
C10C9C8H264.5°174.6°
C10C9H3H4118.2°120.1°
C9C10C11H6176.3°65.0°
C9C10C11H757.7°55.0°
C9C10C19H13172.3°58.6°
C9C10C19H1468.3°178.7°
C10C11C12H6120.7°120.0°
C10C11C12H7120.7°120.0°
C10C11C12C1380.1°89.8°
C10C11C12C1899.3°90.0°
C11C10C9H355.4°61.4°
C11C10C9H463.4°58.7°
C10C11H6H7117.8°120.0°
C11C10C19H1364.4°61.4°
C11C10C19H1455.0°58.7°
C11C12C13C18179.4°179.7°
C11C12C13C14178.4°180.0°
C11C12C18C17179.2°179.8°
C12C11C10H556.2°55.0°
C12C11H6H7117.8°120.0°
C11C12C13H81.5°0.0°
C11C12C18H240.8°0.1°
C12C13C14H8180.0°180.0°
C12C13C14C151.0°0.0°
C13C12C18C170.2°0.5°
C13C12C11H6159.2°150.2°
C13C12C11H740.6°30.3°
C12C13C14H9179.0°180.0°
C13C12C18H24179.8°179.8°
C14C13C12C181.0°0.2°
C13C14C15H9180.0°180.0°
C13C14C15C170.1°0.0°
C13C14C15C16179.2°180.0°
C12C18C17H24180.0°179.7°
C12C18C17C150.7°0.5°
C18C12C11H621.4°30.0°
C18C12C11H7140.0°150.0°
C18C12C13H8179.0°179.7°
C12C18C17H25179.3°179.8°
C14C15C17C180.7°0.3°
C14C15C17C16179.3°180.0°
C15C14C13H8179.0°180.0°
C14C15C16H1090.4°90.0°
C14C15C16H11149.6°150.0°
C14C15C16H1229.7°29.9°
C14C15C17H25179.3°180.0°
C18C17C15H25180.0°179.7°
C18C17C15C16180.0°179.8°
C17C15C14H9179.9°180.0°
C17C15C16H1090.3°90.0°
C17C15C16H1129.7°30.0°
C17C15C16H12149.6°150.0°
C15C17C18H24179.4°179.8°
C16C15C14H90.8°0.0°
C15C16H10H11120.0°120.1°
C15C16H10H12120.0°120.0°
C15C16H11H12120.0°120.0°
C16C15C17H250.0°0.0°
H1C8C9H355.4°174.9°
H1C8C9H463.4°54.8°
H2C8C9H3174.9°54.6°
H2C8C9H456.1°65.5°
H3C9C10H5174.4°178.6°
H4C9C10H555.6°61.3°
H5C10C11H664.5°175.0°
H5C10C11H7176.9°65.0°
H5C10C19H1354.5°178.6°
H5C10C19H14173.9°61.3°
H8C13C14H90.9°0.0°
H10C16H11H12120.0°119.9°
H13C19C20H1555.6°54.5°
H13C19C20H1663.7°174.7°
H14C19C20H15175.0°65.6°
H14C19C20H1655.6°54.6°
H18C6H19H20120.0°120.0°
H21C4H22H23120.0°120.1°
H24C18C17H250.7°0.1°

223532

PDB entries from 2024-08-07

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