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2D6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C19sing1.53Å1.51Å
C20C21sing1.53Å1.57Å
C19C24sing1.53Å1.55Å
O2C8doub1.21Å1.24Å
C8C9sing1.51Å1.54Å
C8N4sing1.35Å1.38Å
C9C10sing1.53Å1.48Å
N4C21sing1.46Å1.49Å
C21C22sing1.53Å1.56Å
C17C18doub1.37Å1.47ÅAromatic
C17C16sing1.39Å1.47ÅAromatic
C24O1sing1.43Å1.48Å
C24C23sing1.53Å1.54Å
O1C1sing1.36Å1.47Å
C18C13sing1.40Å1.46ÅAromatic
C16C15doub1.37Å1.47ÅAromatic
C10S1sing1.81Å1.90Å
C1C6doub1.39Å1.46ÅAromatic
C1C2sing1.39Å1.46ÅAromatic
C6C5sing1.38Å1.42ÅAromatic
C13N3sing1.35Å1.37Å
C13C14doub1.41Å1.52ÅAromatic
C22C23sing1.53Å1.51Å
N3C11doub1.31Å1.35Å
C2C3doub1.38Å1.43ÅAromatic
C15C14sing1.39Å1.45ÅAromatic
C5C4doub1.40Å1.48ÅAromatic
C14C12sing1.47Å1.46Å
C3C4sing1.40Å1.40ÅAromatic
C11S1sing1.76Å1.76Å
C11N2sing1.37Å1.38Å
C4C7sing1.43Å1.46Å
C12N2sing1.35Å1.38Å
C12O3doub1.22Å1.23Å
C7N1trip1.14Å1.15Å
N4H1sing0.97Å1.00Å
C9H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C10H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
N2H6sing0.97Å1.00Å
C15H7sing1.08Å1.08Å
C16H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
C18H10sing1.08Å1.08Å
C19H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C23H18sing1.09Å1.10Å
C23H19sing1.09Å1.10Å
C24H20sing1.09Å1.10Å
C2H21sing1.08Å1.08Å
C3H22sing1.08Å1.08Å
C5H23sing1.08Å1.08Å
C6H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C20C21115.3°109.5°
C20C19C24114.6°109.5°
C20C19H11108.1°109.5°
C20C19H12108.2°109.5°
C19C20H13108.0°109.5°
C19C20H14108.0°109.5°
C20C21N4109.4°109.5°
C20C21C22113.2°109.5°
C21C20H13108.0°109.4°
C21C20H14108.0°109.5°
C20C21H15107.5°109.5°
C19C24O1111.3°109.5°
C19C24C23108.6°109.5°
C24C19H11108.2°109.4°
C24C19H12108.1°109.4°
C19C24H20108.7°109.4°
O2C8C9119.1°120.0°
O2C8N4123.2°120.0°
C9C8N4117.6°120.0°
C8C9C10116.9°109.5°
C8C9H2107.6°109.5°
C8C9H3107.6°109.5°
C8N4C21116.2°120.0°
C8N4H1121.9°120.0°
C9C10S1115.2°109.5°
C10C9H2107.6°109.5°
C10C9H3107.6°109.5°
C9C10H4108.0°109.5°
C9C10H5108.0°109.5°
N4C21C22110.5°109.4°
C21N4H1121.9°120.0°
N4C21H15108.5°109.4°
C21C22C23114.7°109.4°
C22C21H15107.6°109.5°
C21C22H16108.1°109.5°
C21C22H17108.1°109.5°
C18C17C16120.3°120.9°
C17C18C13120.1°119.7°
C18C17H9119.8°119.5°
C17C18H10119.9°120.1°
C17C16C15120.6°120.8°
C17C16H8119.7°119.6°
C16C17H9119.8°119.5°
O1C24C23109.9°109.5°
C24O1C1115.7°117.0°
O1C24H20109.5°109.5°
C24C23C22114.3°109.5°
C24C23H18108.2°109.5°
C24C23H19108.3°109.5°
C23C24H20108.8°109.5°
O1C1C6118.5°120.0°
O1C1C2119.2°119.9°
C18C13N3119.7°121.6°
C18C13C14119.2°119.2°
C13C18H10120.0°120.2°
C16C15C14119.4°119.5°
C16C15H7120.3°120.2°
C15C16H8119.7°119.6°
C10S1C11103.3°100.0°
S1C10H4108.0°109.5°
S1C10H5108.0°109.5°
C6C1C2122.4°120.1°
C1C6C5117.5°120.1°
C1C6H24121.3°119.9°
C1C2C3119.6°120.1°
C1C2H21120.2°119.9°
C6C5C4118.5°119.9°
C6C5H23120.8°120.1°
C5C6H24121.3°119.9°
N3C13C14121.1°119.2°
C13N3C11120.9°121.6°
C13C14C15120.4°119.9°
C13C14C12114.7°118.2°
C23C22H16108.2°109.4°
C23C22H17108.2°109.5°
C22C23H18108.2°109.4°
C22C23H19108.2°109.4°
N3C11S1121.7°118.5°
N3C11N2120.7°123.1°
C2C3C4117.9°119.9°
C3C2H21120.2°120.0°
C2C3H22121.0°120.0°
C15C14C12124.9°121.9°
C14C15H7120.3°120.3°
C5C4C3124.2°119.8°
C5C4C7129.2°120.1°
C4C5H23120.7°120.0°
C14C12N2118.3°117.4°
C14C12O3119.1°121.3°
C3C4C7106.6°120.1°
C4C3H22121.0°120.0°
S1C11N2117.5°118.5°
C11N2C12124.3°120.5°
C11N2H6117.8°119.8°
C4C7N1175.5°180.0°
N2C12O3122.6°121.3°
C12N2H6117.9°119.7°
H2C9H3109.5°109.5°
H4C10H5109.5°109.4°
H11C19H12109.5°109.4°
H13C20H14109.5°109.4°
H16C22H17109.5°109.5°
H18C23H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C20C21H13120.9°120.0°
C19C20C21H14120.9°120.1°
C20C19C24H11120.7°120.0°
C20C19C24H12120.8°120.0°
C19C20C21N4162.4°180.0°
C19C20C21C2238.8°60.1°
C20C19C24O1175.2°180.0°
C20C19C24C2354.1°60.0°
C20C19H11H12117.7°120.1°
C19C20H13H14117.4°120.0°
C19C20C21H1579.9°60.0°
C20C19C24H2064.2°60.0°
C21C20C19C2447.3°60.0°
C20C21N4C8114.5°155.3°
C20C21N4C22125.2°120.0°
C20C21N4H15117.0°120.1°
C20C21C22H15118.6°120.1°
C20C21C22C2340.3°60.0°
C20C21N4H165.6°25.0°
C21C20C19H11168.0°180.0°
C21C20C19H1273.5°59.9°
C21C20H13H14117.3°120.0°
C20C21C22H16161.1°180.0°
C20C21C22H1780.5°60.0°
C19C24O1C23120.4°120.0°
C19C24O1H20120.2°120.0°
C19C24C23H20118.1°119.9°
C19C24O1C1142.6°155.2°
C19C24C23C2255.9°60.0°
C24C19H11H12117.6°119.9°
C24C19C20H13168.1°180.0°
C24C19C20H1473.6°60.0°
C19C24C23H18176.6°60.0°
C19C24C23H1964.8°179.9°
O2C8C9N4176.5°179.9°
O2C8C9C10114.7°0.0°
O2C8N4C2111.7°0.1°
O2C8N4H1168.4°179.7°
O2C8C9H26.3°120.0°
O2C8C9H3124.2°120.0°
C8C9C10H2121.1°120.0°
C8C9C10H3121.1°120.0°
C9C8N4C21172.0°180.0°
C8C9C10S140.8°180.0°
C9C8N4H18.0°0.4°
C8C9H2H3116.6°120.0°
C8C9C10H4161.6°60.0°
C8C9C10H580.0°60.0°
N4C8C9C1068.7°180.0°
C8N4C21H1180.0°179.7°
C8N4C21C22120.3°84.7°
N4C8C9H2170.2°60.0°
N4C8C9H352.3°60.0°
C8N4C21H152.5°35.3°
C9C10S1H4120.9°120.1°
C9C10S1H5120.9°120.0°
C9C10S1C1175.0°180.0°
C10C9H2H3116.7°120.0°
C9C10H4H5117.4°120.0°
N4C21C22H15118.3°119.9°
N4C21C22C23163.4°180.0°
N4C21C20H1376.7°60.0°
N4C21C20H1441.6°59.9°
N4C21C22H1675.8°60.0°
N4C21C22H1742.6°60.0°
C21C22C23C2450.9°60.0°
C21C22C23H16120.8°120.0°
C21C22C23H17120.8°120.0°
C22C21N4H159.7°95.0°
C22C21C20H13159.6°180.0°
C22C21C20H1482.1°60.0°
C21C22H16H17117.6°120.0°
C21C22C23H18171.5°60.0°
C21C22C23H1969.9°180.0°
C18C17C16H9180.0°179.9°
C17C18C13H10180.0°179.9°
C18C17C16C150.1°0.0°
C17C18C13N3179.9°180.0°
C17C18C13C141.0°0.0°
C18C17C16H8179.9°179.9°
C16C17C18C130.4°0.0°
C17C16C15H8180.0°179.9°
C17C16C15C140.2°0.0°
C17C16C15H7179.8°179.9°
C16C17C18H10179.6°179.9°
O1C24C23H20119.9°120.0°
C24O1C1C6179.9°174.5°
C24O1C1C20.2°5.2°
O1C24C23C22177.8°180.0°
O1C24C19H1164.1°59.9°
O1C24C19H1254.4°60.0°
O1C24C23H1861.5°60.1°
O1C24C23H1957.1°60.0°
C23C24O1C197.0°84.7°
C24C23C22H18120.7°120.0°
C24C23C22H19120.7°120.0°
C23C24C19H11174.8°180.0°
C23C24C19H1266.7°60.0°
C24C23C22H16171.6°180.0°
C24C23C22H1769.9°60.0°
C24C23H18H19117.8°120.1°
O1C1C6C2179.9°179.7°
O1C1C6C5179.7°179.8°
O1C1C2C3179.3°179.9°
C1O1C24H2022.4°35.2°
O1C1C2H210.7°0.0°
O1C1C6H240.3°0.0°
C18C13N3C14178.9°179.9°
C18C13N3C11179.1°180.0°
C18C13C14C151.4°0.1°
C18C13C14C12178.5°179.7°
C13C18C17H9179.7°180.0°
C16C15C14C130.9°0.1°
C16C15C14H7180.0°179.9°
C16C15C14C12178.9°179.7°
C15C16C17H9179.9°180.0°
C10S1C11N315.5°0.2°
C10S1C11N2162.3°180.0°
S1C10C9H280.3°60.0°
S1C10C9H3161.8°60.0°
S1C10H4H5117.3°120.0°
C1C6C5H24180.0°179.8°
C6C1C2C30.6°0.2°
C1C6C5C40.3°0.5°
C6C1C2H21179.4°179.7°
C1C6C5H23179.7°179.7°
C2C1C6C50.2°0.5°
C1C2C3H21180.0°180.0°
C1C2C3C40.4°0.0°
C1C2C3H22179.6°180.0°
C2C1C6H24179.8°179.7°
C6C5C4H23180.0°179.8°
C6C5C4C30.4°0.2°
C6C5C4C7178.1°179.8°
N3C13C14C15179.8°180.0°
N3C13C14C120.4°0.3°
C13N3C11S1176.7°180.0°
C13N3C11N21.0°0.2°
N3C13C18H100.0°0.1°
C14C13N3C110.2°0.1°
C13C14C15C12179.9°179.6°
C13C14C12N20.2°0.3°
C13C14C12O3178.3°179.7°
C13C14C15H7179.1°180.0°
C14C13C18H10178.9°180.0°
C23C22C21H1578.3°60.1°
C23C22H16H17117.6°120.0°
C22C23H18H19117.8°120.0°
C22C23C24H2062.3°60.0°
N3C11S1N2177.8°179.8°
N3C11N2C121.3°0.3°
N3C11N2H6178.7°179.8°
C2C3C4C50.1°0.0°
C2C3C4H22180.0°179.9°
C2C3C4C7178.7°180.0°
C15C14C12N2180.0°179.9°
C15C14C12O31.5°0.0°
C14C15C16H8179.8°179.9°
C5C4C3C7178.8°180.0°
C5C4C7N1178.6°133.9°
C5C4C3H22179.9°180.0°
C4C5C6H24179.7°179.7°
C14C12N2C110.6°0.0°
C14C12N2O3178.4°179.9°
C14C12N2H6179.4°180.0°
C12C14C15H71.1°0.4°
C3C4C7N10.2°46.1°
C4C3C2H21179.6°180.0°
C3C4C5H23179.5°179.9°
S1C11N2C12176.6°179.9°
C11S1C10H445.9°59.9°
C11S1C10H5164.2°60.0°
S1C11N2H63.4°0.0°
C11N2C12H6180.0°179.9°
C11N2C12O3179.1°180.0°
C7C4C3H221.3°0.0°
C7C4C5H231.9°0.0°
O3C12N2H60.9°0.1°
H1N4C21H15177.5°145.1°
H2C9C10H440.6°180.0°
H2C9C10H5158.9°60.0°
H3C9C10H477.3°60.0°
H3C9C10H541.0°180.0°
H7C15C16H80.2°0.0°
H8C16C17H90.1°0.1°
H9C17C18H100.4°0.0°
H11C19C20H1371.1°60.0°
H11C19C20H1447.2°59.9°
H11C19C24H2056.6°60.1°
H12C19C20H1347.4°60.0°
H12C19C20H14165.7°180.0°
H12C19C24H20175.1°180.0°
H13C20C21H1540.9°60.0°
H14C20C21H15159.2°180.0°
H15C21C22H1642.5°59.9°
H15C21C22H17160.9°180.0°
H16C22C23H1867.7°60.0°
H16C22C23H1950.9°60.0°
H17C22C23H1850.8°180.0°
H17C22C23H19169.4°60.0°
H18C23C24H2058.4°179.9°
H19C23C24H20177.0°60.0°
H21C2C3H220.4°0.1°
H23C5C6H240.3°0.1°

220113

PDB entries from 2024-05-22

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