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PRD_000754

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.55Å
C1C5sing1.51Å1.53Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2C3sing1.53Å1.53Å
C2C4sing1.53Å1.52Å
C2H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C4H9sing1.09Å1.10Å
C5O1doub1.21Å1.21Å
N1C6sing1.47Å1.46Å
N1H10sing0.97Å1.00Å
C6C7sing1.53Å1.53Å
C6C14sing1.51Å1.52Å
C6H11sing1.09Å1.10Å
C7C8sing1.51Å1.50Å
C7H12sing1.09Å1.10Å
C7H13sing1.09Å1.10Å
C8C9doub1.38Å1.40ÅAromatic
C8C10sing1.38Å1.39ÅAromatic
C9C11sing1.38Å1.39ÅAromatic
C9H14sing1.08Å1.08Å
C10C12doub1.38Å1.40ÅAromatic
C10H15sing1.08Å1.08Å
C11C13doub1.38Å1.38ÅAromatic
C11H16sing1.08Å1.08Å
C12C13sing1.38Å1.36ÅAromatic
C12H17sing1.08Å1.08Å
C13I1sing2.09Å1.99Å
C14O2doub1.21Å1.24Å
N2C15sing1.46Å1.46Å
N2H18sing0.97Å1.00Å
C15C16sing1.51Å1.54Å
C15C17sing1.53Å1.52Å
C15H19sing1.09Å1.10Å
C16O3doub1.21Å1.43Å
C16H20sing1.08Å1.08Å
C17C18sing1.51Å1.52Å
C17H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C18C19doub1.38Å1.38ÅAromatic
C18C20sing1.38Å1.39ÅAromatic
C19C21sing1.38Å1.38ÅAromatic
C19H23sing1.08Å1.08Å
C20C22doub1.38Å1.40ÅAromatic
C20H24sing1.08Å1.08Å
C21C23doub1.39Å1.39ÅAromatic
C21H25sing1.08Å1.08Å
C22C23sing1.39Å1.38ÅAromatic
C22H26sing1.08Å1.08Å
C23O4sing1.36Å1.39Å
O4H27sing0.97Å0.95Å
C5N1sing1.35Å1.33Å
C14N2sing1.35Å1.35Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C5111.3°109.4°
C2C1H1109.0°109.4°
C2C1H2109.0°109.5°
C1C2C3113.0°109.5°
C1C2C4110.7°109.4°
C1C2H3107.3°109.5°
C5C1H1109.0°109.5°
C5C1H2109.0°109.5°
C1C5O1120.9°120.0°
C1C5N1119.8°120.0°
H1C1H2109.5°109.5°
C3C2C4110.6°109.4°
C3C2H3107.5°109.5°
C2C3H4109.5°109.5°
C2C3H5109.4°109.5°
C2C3H6109.5°109.5°
C4C2H3107.6°109.5°
C2C4H7109.5°109.5°
C2C4H8109.5°109.4°
C2C4H9109.5°109.5°
H4C3H5109.5°109.4°
H4C3H6109.5°109.4°
H5C3H6109.5°109.5°
H7C4H8109.5°109.5°
H7C4H9109.5°109.5°
H8C4H9109.5°109.5°
O1C5N1119.3°120.0°
C6N1H10118.9°120.0°
N1C6C7109.7°109.5°
N1C6C14111.1°109.4°
N1C6H11109.4°109.4°
C6N1C5122.1°120.0°
H10N1C5119.0°120.0°
C7C6C14109.4°109.5°
C7C6H11108.5°109.5°
C6C7C8113.4°109.5°
C6C7H12108.5°109.4°
C6C7H13108.5°109.5°
C14C6H11108.7°109.5°
C6C14O2119.8°120.0°
C6C14N2117.7°120.0°
C8C7H12108.5°109.5°
C8C7H13108.5°109.5°
C7C8C9119.5°120.0°
C7C8C10123.3°120.0°
H12C7H13109.5°109.5°
C9C8C10117.1°120.0°
C8C9C11120.9°120.0°
C8C9H14119.6°120.0°
C8C10C12119.3°120.0°
C8C10H15120.4°120.0°
C11C9H14119.5°120.0°
C9C11C13122.6°120.0°
C9C11H16118.7°120.0°
C12C10H15120.4°120.0°
C10C12C13125.0°120.0°
C10C12H17117.5°120.0°
C13C11H16118.7°119.9°
C11C13C12114.8°120.0°
C11C13I1124.6°120.1°
C13C12H17117.5°120.0°
C12C13I1119.2°120.0°
O2C14N2122.5°120.0°
C15N2H18119.7°120.0°
N2C15C16109.3°109.5°
N2C15C17110.3°109.5°
N2C15H19108.7°109.5°
C15N2C14120.6°120.0°
H18N2C14119.7°120.0°
C16C15C17112.8°109.4°
C16C15H19107.7°109.5°
C15C16O3111.2°119.9°
C15C16H20124.4°120.0°
C17C15H19107.9°109.4°
C15C17C18115.0°109.4°
C15C17H21108.1°109.5°
C15C17H22108.1°109.5°
O3C16H20124.4°120.0°
C18C17H21108.1°109.4°
C18C17H22108.1°109.5°
C17C18C19120.1°120.0°
C17C18C20121.5°119.9°
H21C17H22109.5°109.5°
C19C18C20118.4°120.1°
C18C19C21121.1°120.1°
C18C19H23119.5°120.0°
C18C20C22121.1°120.0°
C18C20H24119.5°119.9°
C21C19H23119.4°119.9°
C19C21C23120.0°119.9°
C19C21H25120.0°120.1°
C22C20H24119.5°120.0°
C20C22C23119.5°120.0°
C20C22H26120.2°120.0°
C23C21H25120.0°120.0°
C21C23C22120.0°119.8°
C21C23O4120.4°120.1°
C23C22H26120.3°120.0°
C22C23O4119.6°120.1°
C23O4H27109.5°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C5H1120.3°119.9°
C2C1C5H2120.3°120.0°
C2C1H1H2119.2°120.0°
C1C2C3C4124.7°119.9°
C1C2C3H3118.2°120.1°
C1C2C4H3116.9°120.0°
C1C2C3H4180.0°179.9°
C1C2C3H560.0°60.1°
C1C2C3H660.0°59.9°
C1C2C4H7180.0°60.0°
C1C2C4H860.0°180.0°
C1C2C4H960.0°60.0°
C2C1C5O155.4°0.0°
C2C1C5N1125.8°180.0°
C5C1H1H2119.1°120.0°
C5C1C2C3173.1°65.0°
C5C1C2C462.3°175.0°
C5C1C2H354.8°55.0°
C1C5O1N1178.7°180.0°
C1C5N1C6176.4°180.0°
C1C5N1H103.6°0.1°
H1C1C2C366.6°175.0°
H1C1C2C458.0°55.1°
H1C1C2H3175.1°64.9°
H1C1C5O1175.7°119.9°
H1C1C5N15.6°60.0°
H2C1C2C352.8°54.9°
H2C1C2C4177.5°65.0°
H2C1C2H365.4°175.0°
H2C1C5O164.9°120.0°
H2C1C5N1113.9°60.0°
C3C2C4H3117.1°120.0°
C2C3H4H5120.0°120.0°
C2C3H4H6120.0°120.1°
C2C3H5H6120.0°120.0°
C3C2C4H754.0°180.0°
C3C2C4H866.0°60.0°
C3C2C4H9174.0°60.0°
C4C2C3H455.3°60.0°
C4C2C3H5175.3°180.0°
C4C2C3H664.7°60.0°
C2C4H7H8120.0°119.9°
C2C4H7H9120.0°120.0°
C2C4H8H9120.0°120.0°
H3C2C3H461.8°60.0°
H3C2C3H558.1°60.0°
H3C2C3H6178.1°180.0°
H3C2C4H763.1°60.0°
H3C2C4H8176.9°60.0°
H3C2C4H956.9°180.0°
H4C3H5H6120.0°119.9°
H7C4H8H9120.0°120.1°
O1C5N1C64.8°0.0°
O1C5N1H10175.2°180.0°
C6N1H10C5180.0°179.9°
N1C6C7C14122.1°120.0°
N1C6C7H11119.5°120.0°
N1C6C14H11120.5°119.9°
N1C6C7C852.4°65.0°
N1C6C7H1268.2°55.0°
N1C6C7H13173.0°175.0°
N1C6C14O250.2°20.0°
N1C6C14N2131.6°160.0°
H10N1C6C722.3°120.0°
H10N1C6C1498.8°120.0°
H10N1C6H11141.2°0.0°
C7C6C14H11118.3°120.1°
C6C7C8H12120.6°120.0°
C6C7C8H13120.6°120.0°
C6C7H12H13118.2°120.0°
C6C7C8C9126.3°90.0°
C6C7C8C1049.2°90.3°
C7C6C14O271.1°100.0°
C7C6N1C5157.7°60.0°
C7C6C14N2107.1°80.0°
C14C6C7C8174.5°175.0°
C14C6C7H1253.9°65.0°
C14C6C7H1364.9°55.0°
C6C14O2N2178.1°179.9°
C6C14N2C15175.0°180.0°
C6C14N2H185.0°0.1°
C14C6N1C581.2°60.0°
H11C6C7C867.1°55.0°
H11C6C7H12172.3°175.0°
H11C6C7H1353.5°65.1°
H11C6C14O2170.6°140.0°
H11C6N1C538.8°180.0°
H11C6C14N211.2°40.1°
C8C7H12H13118.2°120.1°
C7C8C9C10175.8°179.7°
C7C8C9C11178.8°180.0°
C7C8C9H141.2°0.1°
C7C8C10C12178.9°179.9°
C7C8C10H151.1°0.0°
H12C7C8C95.8°29.9°
H12C7C8C10169.8°149.7°
H13C7C8C9113.1°150.0°
H13C7C8C1071.4°29.7°
C8C9C11H14180.0°180.0°
C9C8C10C125.4°0.3°
C9C8C10H15174.6°179.7°
C8C9C11C130.0°0.0°
C8C9C11H16179.9°179.9°
C10C8C9C115.3°0.3°
C10C8C9H14174.7°179.7°
C8C10C12H15180.0°180.0°
C8C10C12C130.2°0.1°
C8C10C12H17179.7°180.0°
C9C11C13H16180.0°179.9°
C9C11C13C125.0°0.3°
C9C11C13I1171.0°180.0°
H14C9C11C13179.9°180.0°
H14C9C11H160.1°0.1°
C10C12C13C114.9°0.4°
C10C12C13H17180.0°179.9°
C10C12C13I1171.8°180.0°
H15C10C12C13179.8°180.0°
H15C10C12H170.2°0.1°
C11C13C12I1166.9°179.7°
C11C13C12H17175.1°179.7°
H16C11C13C12175.1°179.8°
H16C11C13I19.0°0.1°
H17C12C13I18.2°0.0°
O2C14N2C153.2°0.1°
O2C14N2H18176.8°180.0°
C15N2H18C14180.0°179.9°
N2C15C16C17123.0°120.0°
N2C15C16H19118.0°120.0°
N2C15C17H19118.7°120.0°
N2C15C16O3178.8°0.0°
N2C15C16H201.2°180.0°
N2C15C17C1870.4°65.0°
N2C15C17H2150.3°54.9°
N2C15C17H22168.7°175.0°
H18N2C15C1675.3°95.0°
H18N2C15C1749.3°24.9°
H18N2C15H19167.4°144.9°
C16C15C17H19118.8°120.0°
C15C16O3H20180.0°180.0°
C16C15C17C18167.1°175.0°
C16C15C17H2172.1°65.1°
C16C15C17H2246.2°55.0°
C16C15N2C14104.8°85.0°
C17C15C16O358.2°120.0°
C17C15C16H20121.8°60.0°
C15C17C18H21120.8°119.9°
C15C17C18H22120.8°120.1°
C15C17H21H22117.5°120.1°
C15C17C18C19143.5°90.0°
C15C17C18C2038.1°90.3°
C17C15N2C14130.7°155.0°
H19C15C16O360.8°120.0°
H19C15C16H20119.2°60.0°
H19C15C17C1848.2°55.0°
H19C15C17H21169.0°174.9°
H19C15C17H2272.6°65.0°
H19C15N2C1412.6°35.0°
C18C17H21H22117.5°120.0°
C17C18C19C20178.4°179.7°
C17C18C19C21179.3°180.0°
C17C18C19H230.7°0.1°
C17C18C20C22179.5°179.9°
C17C18C20H240.5°0.0°
H21C17C18C1922.7°30.0°
H21C17C18C20158.9°149.7°
H22C17C18C1995.6°150.0°
H22C17C18C2082.7°29.8°
C18C19C21H23180.0°179.9°
C19C18C20C221.1°0.2°
C19C18C20H24178.9°179.7°
C18C19C21C230.5°0.0°
C18C19C21H25179.5°180.0°
C20C18C19C210.9°0.3°
C20C18C19H23179.1°179.8°
C18C20C22H24180.0°179.9°
C18C20C22C230.9°0.1°
C18C20C22H26179.1°180.0°
C19C21C23H25180.0°180.0°
C19C21C23C220.3°0.3°
C19C21C23O4179.6°180.0°
H23C19C21C23179.5°180.0°
H23C19C21H250.5°0.0°
C20C22C23C210.5°0.4°
C20C22C23H26180.0°179.9°
C20C22C23O4179.8°179.9°
H24C20C22C23179.1°180.0°
H24C20C22H260.9°0.1°
C21C23C22O4179.3°179.7°
C21C23C22H26179.5°179.7°
C21C23O4H27180.0°89.9°
H25C21C23C22179.7°179.7°
H25C21C23O40.4°0.0°
C22C23O4H270.8°89.8°
H26C22C23O40.2°0.0°

219140

PDB entries from 2024-05-01

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