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AWL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21C19sing1.53Å1.51Å
C21C20sing1.53Å1.51Å
C19C17sing1.53Å1.51Å
C19C6sing1.53Å1.52Å
C17C16sing1.53Å1.51Å
C6C5sing1.53Å1.51Å
C20C18sing1.53Å1.52Å
C20C7sing1.53Å1.52Å
C18C16sing1.53Å1.51Å
C16C8sing1.53Å1.51Å
C7C5sing1.53Å1.51Å
C5C8sing1.53Å1.51Å
C5C4sing1.51Å1.53Å
OC4doub1.21Å1.22Å
C4Nsing1.35Å1.34Å
NCsing1.47Å1.47Å
NC1sing1.47Å1.47Å
CC3sing1.53Å1.52Å
C1C2sing1.53Å1.52Å
C3N1sing1.47Å1.46Å
C2N1sing1.47Å1.47Å
N1C9sing1.40Å1.33Å
C14C9doub1.39Å1.38ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C9C10sing1.39Å1.38ÅAromatic
CLC13sing1.74Å1.64Å
C13C12doub1.38Å1.38ÅAromatic
C10C15sing1.51Å1.38Å
C10C11doub1.38Å1.38ÅAromatic
C12C11sing1.38Å1.38ÅAromatic
CH1sing1.09Å1.10Å
CH2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C19H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
C20H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C8H16sing1.09Å1.10Å
C8H17sing1.09Å1.10Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
C2H20sing1.09Å1.10Å
C2H21sing1.09Å1.10Å
C3H22sing1.09Å1.10Å
C3H23sing1.09Å1.10Å
C14H24sing1.08Å1.08Å
C12H25sing1.08Å1.08Å
C11H26sing1.08Å1.08Å
C15H27sing1.09Å1.10Å
C15H28sing1.09Å1.10Å
C15H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C21C20109.5°109.5°
C21C19C17109.5°109.5°
C21C19C6109.5°109.5°
C21C19H5109.5°109.5°
C19C21H8109.5°109.5°
C19C21H9109.5°109.5°
C21C20C18109.1°109.4°
C21C20C7109.2°109.5°
C20C21H8109.5°109.5°
C20C21H9109.5°109.5°
C21C20H10109.5°109.5°
C17C19C6109.4°109.5°
C19C17C16109.5°109.4°
C17C19H5109.5°109.4°
C19C17H6109.5°109.5°
C19C17H7109.5°109.5°
C19C6C5110.0°109.4°
C19C6H3109.3°109.5°
C19C6H4109.3°109.5°
C6C19H5109.4°109.4°
C17C16C18109.2°109.4°
C17C16C8109.6°109.4°
C16C17H6109.5°109.5°
C16C17H7109.5°109.4°
C17C16H15109.5°109.5°
C6C5C7109.0°109.5°
C6C5C8109.1°109.5°
C6C5C4108.1°109.4°
C5C6H3109.3°109.5°
C5C6H4109.4°109.4°
C18C20C7110.2°109.5°
C20C18C16109.4°109.5°
C18C20H10109.4°109.5°
C20C18H13109.5°109.5°
C20C18H14109.5°109.5°
C20C7C5109.5°109.5°
C7C20H10109.4°109.5°
C20C7H11109.5°109.5°
C20C7H12109.5°109.5°
C18C16C8109.4°109.5°
C16C18H13109.5°109.5°
C16C18H14109.5°109.4°
C18C16H15109.6°109.5°
C16C8C5110.2°109.5°
C8C16H15109.5°109.5°
C16C8H16109.3°109.5°
C16C8H17109.3°109.4°
C7C5C8109.3°109.5°
C7C5C4111.6°109.5°
C5C7H11109.5°109.5°
C5C7H12109.4°109.5°
C8C5C4109.8°109.4°
C5C8H16109.3°109.5°
C5C8H17109.3°109.5°
C5C4O120.1°120.0°
C5C4N116.9°120.0°
OC4N123.0°120.0°
C4NC121.2°120.9°
C4NC1120.1°120.9°
CNC1118.6°118.2°
NCC3109.8°108.5°
NCH1109.4°109.6°
NCH2109.4°109.8°
NC1C2110.5°108.5°
NC1H18109.2°109.6°
NC1H19109.2°109.6°
CC3N1110.1°109.3°
C3CH1109.4°109.6°
C3CH2109.4°109.7°
CC3H22109.3°109.5°
CC3H23109.3°109.5°
C1C2N1111.1°109.4°
C2C1H18109.2°109.7°
C2C1H19109.2°109.7°
C1C2H20109.0°109.5°
C1C2H21109.0°109.4°
C3N1C2119.5°111.3°
C3N1C9118.7°111.0°
N1C3H22109.3°109.5°
N1C3H23109.3°109.5°
C2N1C9121.8°111.0°
N1C2H20109.1°109.5°
N1C2H21109.1°109.5°
N1C9C14120.1°120.1°
N1C9C10120.1°120.1°
C9C14C13119.5°119.9°
C14C9C10119.9°119.8°
C9C14H24120.3°120.0°
C14C13CL119.9°120.0°
C14C13C12120.9°120.1°
C13C14H24120.2°120.0°
C9C10C15120.3°120.0°
C9C10C11120.6°120.0°
CLC13C12119.1°120.0°
C13C12C11119.4°120.1°
C13C12H25120.3°119.9°
C15C10C11119.2°120.0°
C10C15H27109.5°109.5°
C10C15H28109.4°109.4°
C10C15H29109.4°109.5°
C10C11C12119.8°120.1°
C10C11H26120.1°120.0°
C11C12H25120.3°119.9°
C12C11H26120.1°119.9°
H1CH2109.5°109.6°
H3C6H4109.5°109.5°
H6C17H7109.5°109.5°
H8C21H9109.5°109.4°
H11C7H12109.5°109.5°
H13C18H14109.5°109.5°
H16C8H17109.5°109.5°
H18C1H19109.5°109.8°
H20C2H21109.5°109.5°
H22C3H23109.5°109.6°
H27C15H28109.5°109.5°
H27C15H29109.5°109.5°
H28C15H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C21C20H8120.0°120.0°
C19C21C20H9120.0°120.0°
C21C19C17C6120.0°120.1°
C21C19C17H5120.1°120.0°
C21C19C6H5120.1°120.0°
C21C19C17C1660.2°60.0°
C21C19C6C559.7°60.0°
C19C21C20C1860.2°60.1°
C19C21C20C760.3°60.0°
C21C19C6H360.4°60.0°
C21C19C6H4179.8°180.0°
C21C19C17H6179.8°180.0°
C21C19C17H759.8°59.9°
C19C21H8H9120.0°120.0°
C19C21C20H10179.9°180.0°
C20C21C19C1760.3°60.1°
C20C21C19C659.7°60.0°
C21C20C18C7119.9°120.0°
C21C20C18H10119.8°120.0°
C21C20C7H10119.9°120.0°
C21C20C18C1660.4°60.1°
C21C20C7C560.6°60.0°
C20C21C19H5179.6°180.0°
C20C21H8H9120.0°120.0°
C21C20C7H11179.4°180.0°
C21C20C7H1259.3°60.0°
C21C20C18H1359.5°60.0°
C21C20C18H14179.6°180.0°
C17C19C6H5120.0°119.9°
C19C17C16H6120.0°120.0°
C19C17C16H7120.0°120.0°
C17C19C6C560.3°60.0°
C19C17C16C1860.3°60.0°
C19C17C16C859.5°60.0°
C17C19C6H3179.6°180.0°
C17C19C6H459.8°59.9°
C19C17H6H7120.0°120.1°
C17C19C21H859.7°60.0°
C17C19C21H9179.7°180.0°
C19C17C16H15179.6°180.0°
C6C19C17C1659.8°60.1°
C19C6C5H3120.1°120.0°
C19C6C5H4120.1°120.0°
C19C6C5C759.7°60.0°
C19C6C5C859.6°60.0°
C19C6C5C4178.8°180.0°
C19C6H3H4119.7°120.0°
C6C19C17H660.2°60.0°
C6C19C17H7179.8°180.0°
C6C19C21H8179.6°179.9°
C6C19C21H960.3°60.0°
C17C16C18C2060.4°60.0°
C17C16C18C8119.9°120.0°
C17C16C18H15120.0°120.0°
C17C16C8H15120.1°120.0°
C17C16C8C559.4°60.0°
C16C17C19H5179.7°180.0°
C16C17H6H7120.0°119.9°
C17C16C18H1359.5°60.0°
C17C16C18H14179.6°180.0°
C17C16C8H1660.7°60.0°
C17C16C8H17179.5°180.0°
C6C5C7C2060.2°60.0°
C6C5C8C1659.3°60.1°
C6C5C7C8119.1°120.1°
C6C5C7C4119.3°120.0°
C6C5C8C4118.2°120.0°
C6C5C4O1.2°7.0°
C6C5C4N179.9°173.0°
C5C6H3H4119.8°120.0°
C5C6C19H5179.7°180.0°
C6C5C7H11179.8°180.0°
C6C5C7H1259.8°59.9°
C6C5C8H1660.9°60.0°
C6C5C8H17179.4°180.0°
C18C20C7H10120.3°120.0°
C20C18C16H13120.0°120.1°
C20C18C16H14120.0°119.9°
C20C18C16C859.5°59.9°
C18C20C7C559.2°60.0°
C18C20C21H859.8°60.0°
C18C20C21H9179.8°180.0°
C18C20C7H1160.8°60.0°
C18C20C7H12179.2°180.0°
C20C18H13H14120.1°120.0°
C20C18C16H15179.6°180.0°
C7C20C18C1659.4°60.0°
C20C7C5H11120.0°120.0°
C20C7C5H12120.0°120.0°
C20C7C5C858.9°60.0°
C20C7C5C4179.5°180.0°
C7C20C21H8179.8°180.0°
C7C20C21H959.7°60.0°
C20C7H11H12120.0°120.0°
C7C20C18H13179.4°180.0°
C7C20C18H1460.5°60.0°
C18C16C8H15120.2°120.0°
C18C16C8C560.3°59.9°
C18C16C17H6179.7°180.0°
C18C16C17H759.7°60.0°
C16C18C20H10179.7°180.0°
C16C18H13H14120.0°119.9°
C18C16C8H16179.6°180.0°
C18C16C8H1759.9°60.0°
C16C8C5C759.9°60.0°
C16C8C5H16120.1°120.0°
C16C8C5H17120.1°119.9°
C16C8C5C4177.5°180.0°
C8C16C17H660.5°60.0°
C8C16C17H7179.5°180.0°
C8C16C18H13179.5°180.0°
C8C16C18H1460.5°60.0°
C16C8H16H17119.6°120.0°
C7C5C8C4122.7°120.0°
C7C5C4O121.0°113.0°
C7C5C4N60.3°67.0°
C7C5C6H360.4°60.0°
C7C5C6H4179.8°180.0°
C5C7C20H10179.5°180.0°
C5C7H11H12120.0°120.0°
C7C5C8H16180.0°180.0°
C7C5C8H1760.3°59.9°
C8C5C4O117.7°127.0°
C8C5C4N61.0°53.0°
C8C5C6H3179.6°180.0°
C8C5C6H460.5°59.9°
C8C5C7H1161.0°60.0°
C8C5C7H12178.9°180.0°
C5C8C16H15179.6°180.0°
C5C8H16H17119.7°120.0°
C5C4ON178.6°180.0°
C5C4NC0.8°175.0°
C5C4NC1178.6°5.1°
C4C5C6H361.1°60.0°
C4C5C6H458.8°60.0°
C4C5C7H1160.5°60.0°
C4C5C7H1259.5°60.0°
C4C5C8H1657.4°60.0°
C4C5C8H1762.4°60.0°
OC4NC179.4°5.1°
OC4NC10.0°174.9°
C4NCC1179.4°179.9°
C4NCC3124.7°128.8°
C4NC1C2171.6°128.8°
C4NCH14.7°9.1°
C4NCH2115.2°111.4°
C4NC1H1868.3°111.5°
C4NC1H1951.4°9.0°
NCC3H1120.1°119.7°
NCC3H2120.0°119.9°
CNC1C27.9°51.1°
NCC3N147.3°53.9°
NCH1H2119.9°120.5°
CNC1H18112.3°68.6°
CNC1H19128.0°170.9°
NCC3H2272.8°66.1°
NCC3H23167.4°173.8°
C1NCC354.7°51.2°
NC1C2H18120.2°119.7°
NC1C2H19120.2°119.7°
NC1C2N142.5°53.8°
C1NCH1174.8°170.9°
C1NCH265.3°68.7°
NC1H18H19119.5°120.4°
NC1C2H2077.8°173.8°
NC1C2H21162.8°66.1°
CC3N1H22120.1°120.0°
CC3N1H23120.1°119.9°
CC3N1C22.8°63.1°
CC3N1C9178.5°172.7°
C3CH1H2119.8°120.4°
CC3H22H23119.7°120.1°
C1C2N1C349.5°63.1°
C1C2N1H20120.2°120.0°
C1C2N1H21120.2°119.9°
C1C2N1C9131.7°172.8°
C2C1H18H19119.5°120.6°
C1C2H20H21119.2°120.0°
C3N1C2C9178.8°124.1°
C3N1C9C1479.8°59.8°
C3N1C9C1098.7°120.2°
N1C3CH1167.4°173.5°
N1C3CH272.7°66.1°
C3N1C2H2070.7°176.9°
C3N1C2H21169.7°56.8°
N1C3H22H23119.7°120.1°
C2N1C9C14101.5°64.5°
C2N1C9C1080.0°115.5°
N1C2C1H18162.6°65.9°
N1C2C1H1977.7°173.5°
N1C2H20H21119.3°120.1°
C2N1C3H22122.8°56.8°
C2N1C3H23117.3°177.0°
N1C9C14C10178.5°180.0°
N1C9C14C13179.4°180.0°
N1C9C10C151.4°0.1°
N1C9C10C11179.2°179.8°
C9N1C2H20108.0°52.8°
C9N1C2H2111.5°67.3°
C9N1C3H2258.4°67.3°
C9N1C3H2361.5°52.8°
N1C9C14H240.7°0.1°
C9C14C13H24180.0°179.9°
C9C14C13CL179.5°180.0°
C9C14C13C120.4°0.1°
C14C9C10C15179.9°179.9°
C14C9C10C110.7°0.3°
C13C14C9C100.8°0.0°
C14C13CLC12180.0°179.9°
C14C13C12C110.1°0.2°
C14C13C12H25179.9°179.9°
C9C10C15C11179.4°179.7°
C9C10C11C120.2°0.5°
C10C9C14H24179.2°179.9°
C9C10C11H26179.8°179.6°
C9C10C15H2789.7°94.6°
C9C10C15H28150.3°25.4°
C9C10C15H2930.3°145.4°
CLC13C12C11180.0°179.8°
CLC13C14H240.5°0.1°
CLC13C12H250.0°0.1°
C13C12C11C100.2°0.4°
C13C12C11H25180.0°179.9°
C12C13C14H24179.6°179.9°
C13C12C11H26179.8°179.7°
C15C10C11C12179.6°179.8°
C15C10C11H260.4°0.0°
C10C15H27H28120.0°120.0°
C10C15H27H29120.0°120.0°
C10C15H28H29119.9°120.0°
C10C11C12H26180.0°179.9°
C10C11C12H25179.8°179.7°
C11C10C15H2789.7°85.1°
C11C10C15H2830.3°154.9°
C11C10C15H29150.3°34.9°
H1CC3H2247.3°53.6°
H1CC3H2372.6°66.6°
H2CC3H22167.2°174.0°
H2CC3H2347.3°53.8°
H3C6C19H559.7°60.0°
H4C6C19H560.2°60.0°
H5C19C17H659.7°60.0°
H5C19C17H760.3°60.1°
H5C19C21H860.4°59.9°
H5C19C21H959.6°60.0°
H6C17C16H1559.7°60.0°
H7C17C16H1560.3°60.0°
H8C21C20H1060.0°60.0°
H9C21C20H1060.1°60.0°
H10C20C7H1159.5°60.0°
H10C20C7H1260.5°60.0°
H10C20C18H1360.3°60.0°
H10C20C18H1459.8°60.1°
H13C18C16H1560.4°60.0°
H14C18C16H1559.6°60.0°
H15C16C8H1659.4°60.0°
H15C16C8H1760.3°60.0°
H18C1C2H2042.4°54.1°
H18C1C2H2177.1°174.2°
H19C1C2H20162.0°66.5°
H19C1C2H2142.6°53.6°
H25C12C11H260.2°0.2°
H27C15H28H29120.0°120.0°

222624

PDB entries from 2024-07-17

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