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55S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OSdoub1.42Å1.44Å
C3C4doub1.38Å1.38ÅAromatic
C3C2sing1.38Å1.39ÅAromatic
C4C5sing1.39Å1.40ÅAromatic
SC1sing1.81Å1.78Å
SC2sing1.76Å1.77Å
SO1doub1.42Å1.44Å
C1Csing1.53Å1.50Å
C2C19doub1.38Å1.39ÅAromatic
C5Nsing1.40Å1.45Å
C5C18doub1.39Å1.40ÅAromatic
NC6sing1.39Å1.34Å
C6N1doub1.32Å1.34ÅAromatic
C6N4sing1.33Å1.35ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
N1C7sing1.33Å1.34ÅAromatic
N4C10doub1.33Å1.33ÅAromatic
C7N2sing1.37Å1.34ÅAromatic
C7C9doub1.41Å1.38ÅAromatic
N2C8sing1.36Å1.34ÅAromatic
C10C9sing1.40Å1.39ÅAromatic
C10O2sing1.36Å1.38Å
C9N3sing1.36Å1.34ÅAromatic
C11O2sing1.43Å1.45Å
C11C12sing1.53Å1.50Å
C8N3doub1.30Å1.32ÅAromatic
C13C12sing1.53Å1.53Å
C13C14sing1.53Å1.53Å
C12C17sing1.53Å1.53Å
C14C15sing1.53Å1.51Å
C17C16sing1.53Å1.52Å
C15C16sing1.53Å1.52Å
C4H1sing1.08Å1.08Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C11H4sing1.09Å1.10Å
C11H5sing1.09Å1.10Å
C8H6sing1.08Å1.08Å
C12H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
N2H10sing0.97Å1.00Å
C3H11sing1.08Å1.08Å
C1H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
CH15sing1.09Å1.10Å
CH16sing1.09Å1.10Å
CH17sing1.09Å1.10Å
C19H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
NH20sing0.97Å1.00Å
C17H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
C16H24sing1.09Å1.10Å
C15H25sing1.09Å1.10Å
C15H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OSC1108.7°110.6°
OSC2108.4°104.3°
OSO1118.4°121.1°
C4C3C2119.9°120.1°
C3C4C5120.1°119.9°
C3C4H1119.9°120.1°
C4C3H11120.1°119.9°
C3C2S120.1°120.0°
C3C2C19120.5°120.1°
C2C3H11120.1°120.0°
C4C5N120.9°120.1°
C4C5C18119.4°119.8°
C5C4H1120.0°120.0°
C1SC2103.9°104.4°
C1SO1108.4°110.5°
SC1C117.0°109.4°
SC1H13107.5°109.5°
SC1H14107.5°109.5°
C2SO1108.1°104.3°
SC2C19119.4°119.9°
CC1H13107.6°109.5°
CC1H14107.6°109.4°
C1CH15109.5°109.5°
C1CH16109.5°109.5°
C1CH17109.5°109.4°
C2C19C18120.0°120.1°
C2C19H18120.0°120.0°
NC5C18119.7°120.1°
C5NC6128.8°120.0°
C5NH20115.6°120.0°
C5C18C19120.1°119.9°
C5C18H19119.9°120.0°
NC6N1115.2°118.9°
NC6N4119.4°118.9°
C6NH20115.6°120.0°
N1C6N4125.5°122.2°
C6N1C7113.9°120.6°
C6N4C10119.1°121.2°
C18C19H18120.0°120.0°
C19C18H19119.9°120.0°
N1C7N2128.6°134.9°
N1C7C9124.9°119.1°
N4C10C9120.0°118.6°
N4C10O2121.8°120.7°
N2C7C9106.4°106.0°
C7N2C8106.4°107.5°
C7N2H10126.8°126.3°
C7C9C10116.4°118.3°
C7C9N3109.5°107.1°
N2C8N3112.3°109.9°
N2C8H6123.9°125.0°
C8N2H10126.8°126.3°
C9C10O2118.1°120.7°
C10C9N3134.0°134.6°
C10O2C11116.9°117.0°
C9N3C8105.3°109.5°
O2C11C12109.5°109.5°
O2C11H4109.5°109.5°
O2C11H5109.4°109.5°
C11C12C13110.0°109.5°
C11C12C17111.5°109.5°
C12C11H4109.5°109.5°
C12C11H5109.5°109.5°
C11C12H7108.4°109.4°
N3C8H6123.9°125.1°
C12C13C14111.8°109.5°
C13C12C17110.8°109.5°
C13C12H7108.0°109.4°
C12C13H8108.9°109.4°
C12C13H9108.9°109.5°
C13C14C15111.2°109.5°
C13C14H2109.0°109.5°
C13C14H3109.0°109.5°
C14C13H8108.9°109.4°
C14C13H9108.9°109.5°
C12C17C16111.7°109.5°
C17C12H7108.1°109.5°
C12C17H21108.9°109.5°
C12C17H22108.9°109.5°
C14C15C16111.0°109.5°
C15C14H2109.0°109.5°
C15C14H3109.0°109.5°
C14C15H25109.1°109.5°
C14C15H26109.1°109.4°
C17C16C15111.0°109.5°
C16C17H21108.9°109.4°
C16C17H22108.9°109.5°
C17C16H23109.1°109.5°
C17C16H24109.1°109.4°
C15C16H23109.1°109.5°
C15C16H24109.1°109.4°
C16C15H25109.1°109.4°
C16C15H26109.1°109.5°
H2C14H3109.5°109.4°
H4C11H5109.5°109.4°
H8C13H9109.5°109.5°
H13C1H14109.5°109.5°
H15CH16109.5°109.5°
H15CH17109.5°109.5°
H16CH17109.4°109.5°
H21C17H22109.5°109.5°
H23C16H24109.4°109.5°
H25C15H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OSC2C39.0°154.0°
OSC1C2115.3°111.6°
OSC1O1130.0°136.8°
OSC2O1129.5°127.9°
OSC1C109.0°68.4°
OSC2C19169.4°26.1°
OSC1H13130.0°171.6°
OSC1H1412.1°51.6°
C4C3C2H11180.0°179.9°
C3C4C5H1180.0°179.7°
C4C3C2S178.8°180.0°
C4C3C2C190.4°0.1°
C3C4C5N179.4°179.8°
C3C4C5C180.0°0.3°
C2C3C4C50.2°0.1°
C3C2SC1106.4°89.9°
C3C2SC19178.5°179.9°
C3C2SO1138.6°26.1°
C3C2C19C180.3°0.2°
C2C3C4H1179.8°179.7°
C3C2C19H18179.7°179.9°
C4C5NC18179.4°180.0°
C4C5NC6153.5°146.1°
C4C5C18C190.0°0.5°
C5C4C3H11179.8°180.0°
C4C5C18H19180.0°180.0°
C4C5NH2026.5°34.0°
C1SC2O1115.0°116.0°
SC1CH13121.1°120.0°
SC1CH14121.1°120.0°
C1SC2C1975.1°90.0°
SC1H13H14116.6°120.1°
SC1CH15180.0°60.0°
SC1CH1660.0°60.0°
SC1CH1760.0°180.0°
C2SC1C135.8°180.0°
SC2C19C18178.8°179.7°
SC2C3H111.2°0.1°
C2SC1H1314.7°60.0°
C2SC1H14103.1°60.1°
SC2C19H181.2°0.0°
O1SC1C21.0°68.4°
O1SC2C1939.9°154.0°
O1SC1H13100.1°51.6°
O1SC1H14142.1°171.7°
CC1H13H14116.6°120.0°
C1CH15H16120.0°120.0°
C1CH15H17120.0°119.9°
C1CH16H17120.0°119.9°
C2C19C18C50.1°0.5°
C2C19C18H18180.0°179.8°
C19C2C3H11179.6°180.0°
C2C19C18H19179.9°180.0°
C5NC6H20180.0°180.0°
C5NC6N1159.3°174.4°
C5NC6N419.4°5.8°
NC5C18C19179.4°179.5°
NC5C4H10.6°0.1°
NC5C18H190.7°0.0°
C18C5NC625.8°33.9°
C5C18C19H19180.0°179.5°
C18C5C4H1180.0°180.0°
C5C18C19H18179.9°179.7°
C18C5NH20154.2°146.1°
NC6N1N4178.6°179.8°
NC6N1C7179.5°179.7°
NC6N4C10178.5°179.7°
N1C6N4C100.0°0.1°
C6N1C7N2179.0°180.0°
C6N1C7C92.5°0.0°
N1C6NH2020.7°5.5°
N4C6N1C72.0°0.1°
C6N4C10C91.6°0.0°
C6N4C10O2179.2°180.0°
N4C6NH20160.6°174.3°
N1C7N2C9178.7°180.0°
N1C7N2C8180.0°179.9°
N1C7C9C101.1°0.0°
N1C7C9N3179.1°179.9°
N1C7N2H100.0°0.0°
N4C10C9C71.1°0.0°
N4C10C9O2177.7°180.0°
N4C10C9N3178.6°179.9°
N4C10O2C114.2°0.0°
C7N2C8H10180.0°180.0°
N2C7C9C10179.9°179.9°
N2C7C9N30.4°0.0°
C7N2C8N32.0°0.0°
C7N2C8H6178.0°180.0°
C9C7N2C81.4°0.0°
C7C9C10N3179.7°179.9°
C7C9C10O2178.7°180.0°
C7C9N3C80.8°0.1°
C9C7N2H10178.6°180.0°
N2C8N3C91.7°0.0°
N2C8N3H6180.0°180.0°
C9C10O2C11173.4°180.0°
C10C9N3C8178.9°179.9°
O2C10C9N30.9°0.1°
C10O2C11C12152.7°180.0°
C10O2C11H487.3°60.0°
C10O2C11H532.7°59.9°
C9N3C8H6178.3°180.0°
O2C11C12H4120.0°120.0°
O2C11C12H5120.0°120.1°
O2C11C12C13171.1°65.0°
O2C11C12C1747.8°175.0°
O2C11H4H5120.0°120.0°
O2C11C12H771.1°55.0°
C11C12C13C17123.7°120.0°
C11C12C13H7118.1°119.9°
C11C12C13C14177.1°180.0°
C11C12C17H7119.0°120.0°
C11C12C17C16177.1°NaN°
C12C11H4H5120.0°120.0°
C11C12C13H862.5°60.1°
C11C12C13H956.8°60.0°
C11C12C17H2156.7°60.0°
C11C12C17H2262.6°60.0°
N3C8N2H10178.0°179.9°
C12C13C14H8120.4°119.9°
C12C13C14H9120.3°120.0°
C13C12C17H7118.2°120.0°
C12C13C14C1554.8°60.0°
C13C12C17C1654.2°60.0°
C12C13C14H265.5°60.1°
C12C13C14H3175.1°180.0°
C13C12C11H468.9°175.0°
C13C12C11H551.1°55.1°
C12C13H8H9118.9°120.0°
C13C12C17H2166.1°60.0°
C13C12C17H22174.6°180.0°
C14C13C12C1753.4°60.0°
C13C14C15H2120.3°120.1°
C13C14C15H3120.3°120.0°
C13C14C15C1656.2°60.0°
C13C14H2H3119.2°120.0°
C14C13C12H764.8°60.1°
C14C13H8H9118.9°120.0°
C13C14C15H25176.4°180.0°
C13C14C15H2664.0°60.0°
C12C17C16H21120.4°120.0°
C12C17C16H22120.3°120.0°
C12C17C16C1556.2°60.0°
C17C12C11H4167.7°55.0°
C17C12C11H572.2°64.9°
C17C12C13H8173.8°60.0°
C17C12C13H966.9°180.0°
C12C17H21H22119.0°120.0°
C12C17C16H23176.5°180.0°
C12C17C16H2464.0°60.0°
C14C15C16C1756.9°59.9°
C14C15C16H25120.2°120.0°
C14C15C16H26120.2°120.0°
C15C14H2H3119.2°120.0°
C15C14C13H8175.1°60.0°
C15C14C13H965.6°180.0°
C14C15C16H23177.2°180.0°
C14C15C16H2463.3°60.0°
C14C15H25H26119.3°120.0°
C17C16C15H23120.2°120.0°
C17C16C15H24120.3°119.9°
C16C17C12H763.9°60.0°
C16C17H21H22119.0°120.0°
C17C16H23H24119.3°120.0°
C17C16C15H25177.1°180.0°
C17C16C15H2663.3°60.0°
C16C15C14H264.1°60.1°
C16C15C14H3176.5°180.0°
C15C16C17H2164.2°60.1°
C15C16C17H22176.5°180.0°
C15C16H23H24119.3°120.0°
C16C15H25H26119.3°120.0°
H1C4C3H110.2°0.3°
H2C14C13H854.9°180.0°
H2C14C13H9174.2°59.9°
H2C14C15H2556.2°59.9°
H2C14C15H26175.7°179.9°
H3C14C13H864.6°60.0°
H3C14C13H954.7°60.0°
H3C14C15H2563.3°60.0°
H3C14C15H2656.3°60.0°
H4C11C12H748.9°65.0°
H5C11C12H7169.0°175.0°
H6C8N2H102.0°0.0°
H7C12C13H855.6°NaN°
H7C12C13H9174.9°60.0°
H7C12C17H21175.7°180.0°
H7C12C17H2256.4°60.0°
H13C1CH1558.9°180.0°
H13C1CH16179.0°60.0°
H13C1CH1761.1°60.0°
H14C1CH1559.0°60.0°
H14C1CH1661.1°180.0°
H14C1CH17179.0°60.0°
H15CH16H17120.0°120.0°
H18C19C18H190.1°0.2°
H21C17C16H2356.1°60.0°
H21C17C16H24175.6°NaN°
H22C17C16H2363.2°60.0°
H22C17C16H2456.3°60.0°
H23C16C15H2562.6°60.0°
H23C16C15H2657.0°60.0°
H24C16C15H2556.9°60.1°
H24C16C15H26176.5°180.0°

223532

PDB entries from 2024-08-07

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