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NMP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S27C26sing1.81Å1.81Å
S27H27sing1.35Å0.95Å
C26C25sing1.53Å1.52Å
C26H261sing1.09Å1.12Å
C26H262sing1.09Å1.11Å
C25C24sing1.53Å1.52Å
C25H251sing1.09Å1.11Å
C25H252sing1.09Å1.12Å
C24N23sing1.46Å1.45Å
C24H241sing1.09Å1.11Å
C24H242sing1.09Å1.11Å
N23C20sing1.35Å1.33Å
N23H23sing0.97Å1.02Å
C20O21doub1.21Å1.22Å
C20C19sing1.51Å1.50Å
C19C22sing1.53Å1.52Å
C19N18sing1.46Å1.45Å
C19H19sing1.09Å1.12Å
C22H221sing1.09Å1.12Å
C22H222sing1.09Å1.11Å
C22H223sing1.09Å1.11Å
N18C16sing1.35Å1.33Å
N18H18sing0.97Å1.02Å
C16O17doub1.21Å1.22Å
C16C15sing1.51Å1.51Å
C15N14sing1.46Å1.45Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.12Å
N14C6sing1.35Å1.33Å
N14H14sing0.97Å1.02Å
C6O7doub1.21Å1.22Å
C6C5sing1.51Å1.50Å
C5N4sing1.47Å1.45Å
C5C8sing1.53Å1.52Å
C5H5sing1.09Å1.11Å
N4C2sing1.37Å1.33Å
N4H4sing0.97Å1.02Å
C2N3sing1.38Å1.33Å
C2N1doub1.30Å1.33Å
N3H31sing0.97Å1.02Å
N3H32sing0.97Å1.02Å
N1H1sing0.97Å1.02Å
C8C9sing1.53Å1.52Å
C8C13sing1.53Å1.52Å
C8H8sing1.09Å1.12Å
C9C10sing1.53Å1.52Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.12Å
C10C11sing1.53Å1.52Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.11Å
C11C12sing1.53Å1.53Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12C13sing1.53Å1.52Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C26S27H27112.3°100.0°
S27C26C25112.3°109.5°
S27C26H261111.2°109.5°
S27C26H262111.2°109.5°
C25C26H261111.1°109.4°
C25C26H262111.2°109.5°
C26C25C24110.8°109.5°
C26C25H251111.7°109.4°
C26C25H252111.7°109.5°
H261C26H26299.2°109.5°
C24C25H251111.7°109.4°
C24C25H252111.7°109.6°
C25C24N23111.8°109.5°
C25C24H241111.4°109.4°
C25C24H242111.4°109.6°
H251C25H25298.6°109.5°
N23C24H241111.3°109.5°
N23C24H242111.3°109.5°
C24N23C20121.5°120.0°
C24N23H23123.6°120.0°
H241C24H24299.0°109.4°
C20N23H23114.9°120.0°
N23C20O21123.6°120.0°
N23C20C19116.5°120.0°
O21C20C19119.9°120.0°
C20C19C22109.2°109.4°
C20C19N18111.0°109.5°
C20C19H19108.9°109.5°
C22C19N18110.1°109.5°
C22C19H19109.7°109.5°
C19C22H221109.2°109.5°
C19C22H222112.3°109.5°
C19C22H223112.3°109.4°
N18C19H19107.9°109.5°
C19N18C16121.6°119.9°
C19N18H18123.6°120.0°
H221C22H222112.3°109.5°
H221C22H223112.2°109.5°
H222C22H22398.2°109.5°
C16N18H18114.9°120.0°
N18C16O17123.5°120.0°
N18C16C15116.3°119.9°
O17C16C15120.1°120.1°
C16C15N14111.3°109.4°
C16C15H151111.5°109.5°
C16C15H152111.5°109.5°
N14C15H151111.6°109.5°
N14C15H152111.6°109.5°
C15N14C6120.3°120.0°
C15N14H14124.1°120.0°
H151C15H15298.8°109.4°
C6N14H14115.5°120.0°
N14C6O7123.0°120.0°
N14C6C5116.2°120.0°
O7C6C5120.8°120.0°
C6C5N4111.7°109.5°
C6C5C8108.7°109.5°
C6C5H5108.5°109.5°
N4C5C8109.5°109.4°
N4C5H5107.8°109.5°
C5N4C2121.0°120.0°
C5N4H4108.1°120.0°
C8C5H5110.8°109.5°
C5C8C9110.7°109.5°
C5C8C13111.4°109.5°
C5C8H8107.4°109.4°
C2N4H4108.1°120.0°
N4C2N3120.3°120.0°
N4C2N1119.9°120.0°
N3C2N1119.8°120.0°
C2N3H31120.3°120.0°
C2N3H32108.3°120.0°
C2N1H1119.3°120.0°
H31N3H32108.4°119.9°
C9C8C13109.7°109.5°
C9C8H8109.2°109.5°
C8C9C10109.8°109.5°
C8C9H91112.1°109.5°
C8C9H92112.0°109.5°
C13C8H8108.4°109.4°
C8C13C12110.1°109.5°
C8C13H131112.0°109.4°
C8C13H132112.0°109.5°
C10C9H91112.1°109.5°
C10C9H92112.1°109.4°
C9C10C11110.3°109.5°
C9C10H101111.9°109.4°
C9C10H102111.9°109.5°
H91C9H9298.4°109.5°
C11C10H101111.9°109.5°
C11C10H102111.9°109.5°
C10C11C12111.8°109.5°
C10C11H111111.4°109.4°
C10C11H112111.4°109.5°
H101C10H10298.5°109.5°
C12C11H111111.3°109.5°
C12C11H112111.3°109.5°
C11C12C13110.8°109.5°
C11C12H121111.8°109.5°
C11C12H122111.8°109.5°
H111C11H11299.1°109.4°
C13C12H121111.7°109.4°
C13C12H122111.7°109.5°
C12C13H131112.0°109.4°
C12C13H132111.9°109.6°
H121C12H12298.6°109.5°
H131C13H13298.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S27C26C25H261125.2°120.0°
S27C26C25H262125.3°120.0°
S27C26H261H262117.1°120.0°
S27C26C25C24167.8°179.9°
S27C26C25H25142.5°60.1°
S27C26C25H25267.0°60.0°
H27S27C26C25180.0°180.0°
H27S27C26H26154.8°60.0°
H27S27C26H26254.7°60.1°
C25C26H261H262117.0°120.0°
C26C25C24H251125.3°119.9°
C26C25C24H252125.3°120.1°
C26C25H251H252117.6°120.0°
C26C25C24N2390.4°180.0°
C26C25C24H24134.9°60.1°
C26C25C24H242144.4°59.9°
H261C26C25C2467.0°60.1°
H261C26C25H251167.7°180.0°
H261C26C25H25258.3°60.0°
H262C26C25C2442.5°59.9°
H262C26C25H25182.8°59.9°
H262C26C25H252167.8°180.0°
C24C25H251H252117.6°120.1°
C25C24N23H241125.3°119.9°
C25C24N23H242125.3°120.1°
C25C24H241H242117.3°120.0°
C25C24N23C2098.4°179.9°
C25C24N23H2381.5°0.0°
H251C25C24N23144.3°60.1°
H251C25C24H24190.4°179.9°
H251C25C24H24219.1°60.0°
H252C25C24N2334.9°60.0°
H252C25C24H241160.1°60.0°
H252C25C24H24290.4°180.0°
N23C24H241H242117.2°120.0°
C24N23C20H23180.0°179.9°
C24N23C20O213.9°0.1°
C24N23C20C19175.7°180.0°
H241C24N23C2026.8°60.0°
H241C24N23H23153.2°119.9°
H242C24N23C20136.3°60.0°
H242C24N23H2343.7°120.2°
N23C20O21C19179.6°179.9°
N23C20C19C22100.1°60.0°
N23C20C19N18138.3°180.0°
N23C20C19H1919.7°59.9°
H23N23C20O21176.1°179.9°
H23N23C20C194.2°0.2°
O21C20C19C2280.3°120.0°
O21C20C19N1841.3°0.1°
O21C20C19H19160.0°120.0°
C20C19C22N18122.1°120.0°
C20C19C22H19119.3°120.0°
C20C19N18H19119.2°120.0°
C20C19C22H221180.0°60.0°
C20C19C22H22254.8°60.0°
C20C19C22H22354.8°180.0°
C20C19N18C1659.1°150.0°
C20C19N18H18120.9°30.0°
C22C19N18H19119.7°120.0°
C19C22H221H222125.3°120.0°
C19C22H221H223125.3°120.0°
C19C22H222H223118.3°119.9°
C22C19N18C16179.8°90.0°
C22C19N18H180.1°89.9°
N18C19C22H22157.9°59.9°
N18C19C22H22267.3°180.0°
N18C19C22H223176.9°60.0°
C19N18C16H18180.0°180.0°
C19N18C16O173.9°0.1°
C19N18C16C15176.1°180.0°
H19C19C22H22160.7°180.0°
H19C19C22H222174.1°60.0°
H19C19C22H22364.5°60.0°
H19C19N18C1660.1°30.0°
H19C19N18H18119.9°150.0°
H221C22H222H223118.2°120.0°
N18C16O17C15180.0°179.9°
N18C16C15N14135.7°180.0°
N18C16C15H15110.3°60.0°
N18C16C15H15299.0°59.9°
H18N18C16O17176.1°179.9°
H18N18C16C153.9°0.0°
O17C16C15N1444.3°0.1°
O17C16C15H151169.6°120.1°
O17C16C15H15281.0°120.0°
C16C15N14H151125.3°120.0°
C16C15N14H152125.3°120.1°
C16C15H151H152117.4°120.0°
C16C15N14C6103.8°180.0°
C16C15N14H1476.2°0.1°
N14C15H151H152117.5°120.0°
C15N14C6H14180.0°180.0°
C15N14C6O713.1°0.0°
C15N14C6C5166.5°180.0°
H151C15N14C621.5°60.0°
H151C15N14H14158.5°120.0°
H152C15N14C6130.9°60.0°
H152C15N14H1449.1°120.0°
N14C6O7C5179.6°180.0°
N14C6C5N4124.7°150.0°
N14C6C5C8114.4°90.0°
N14C6C5H56.1°30.0°
H14N14C6O7166.9°180.0°
H14N14C6C513.5°0.0°
O7C6C5N455.7°29.9°
O7C6C5C865.2°90.0°
O7C6C5H5174.3°149.9°
C6C5N4C8120.4°120.0°
C6C5N4H5119.0°120.0°
C6C5C8H5119.1°120.0°
C6C5N4C289.5°60.0°
C6C5N4H435.8°120.0°
C6C5C8C9163.9°180.0°
C6C5C8C1341.5°60.0°
C6C5C8H877.0°60.0°
N4C5C8H5118.7°120.0°
C5N4C2H4125.2°180.0°
C5N4C2N31.2°180.0°
C5N4C2N1178.4°0.0°
N4C5C8C973.9°60.0°
N4C5C8C13163.7°179.9°
N4C5C8H845.2°60.0°
C8C5N4C2150.1°60.0°
C8C5N4H484.7°120.0°
C5C8C9C13123.3°120.0°
C5C8C9H8118.0°120.0°
C5C8C13H8117.9°119.9°
C5C8C9C10175.8°180.0°
C5C8C9H9150.5°60.0°
C5C8C9H9258.9°60.0°
C5C8C13C12177.3°180.0°
C5C8C13H13157.4°60.1°
C5C8C13H13252.0°59.9°
H5C5N4C229.6°180.0°
H5C5N4H4154.8°0.0°
H5C5C8C944.8°60.0°
H5C5C8C1377.6°60.1°
H5C5C8H8163.9°180.0°
N4C2N3N1179.6°180.0°
N4C2N3H31180.0°180.0°
N4C2N3H3254.7°0.0°
N4C2N1H1112.0°180.0°
H4N4C2N3124.0°0.0°
H4N4C2N156.4°180.0°
C2N3H31H32125.3°180.0°
N3C2N1H167.7°0.0°
N1C2N3H310.4°0.0°
N1C2N3H32124.9°180.0°
C9C8C13H8119.1°120.0°
C8C9C10H91125.3°120.0°
C8C9C10H92125.2°120.0°
C8C9H91H92117.9°120.0°
C8C9C10C1158.3°60.0°
C8C9C10H10167.0°60.0°
C8C9C10H102176.5°180.0°
C9C8C13C1259.8°59.9°
C9C8C13H13165.5°60.0°
C9C8C13H132174.9°179.9°
C13C8C9C1060.9°60.0°
C13C8C9H91173.8°180.0°
C13C8C9H9264.4°60.0°
C8C13C12C1156.3°59.9°
C8C13C12H131125.3°119.9°
C8C13C12H132125.3°120.1°
C8C13C12H12169.0°60.1°
C8C13C12H122178.4°179.9°
C8C13H131H132117.9°120.0°
H8C8C9C1057.8°60.1°
H8C8C9H9167.5°60.0°
H8C8C9H92177.0°180.0°
H8C8C13C1259.3°60.1°
H8C8C13H131175.4°180.0°
H8C8C13H13265.9°60.1°
C10C9H91H92118.0°119.9°
C9C10C11H101125.2°119.9°
C9C10C11H102125.2°120.1°
C9C10H101H102117.8°120.0°
C9C10C11C1255.3°60.0°
C9C10C11H111179.5°180.0°
C9C10C11H11269.9°60.1°
H91C9C10C11176.5°180.0°
H91C9C10H10158.3°60.0°
H91C9C10H10251.2°60.0°
H92C9C10C1167.0°60.0°
H92C9C10H101167.8°NaN°
H92C9C10H10258.3°60.0°
C11C10H101H102117.9°120.0°
C10C11C12H111125.3°120.0°
C10C11C12H112125.2°120.1°
C10C11H111H112117.3°120.0°
C10C11C12C1354.3°60.0°
C10C11C12H12170.9°60.0°
C10C11C12H122179.6°180.0°
H101C10C11C1270.0°60.0°
H101C10C11H11155.3°60.1°
H101C10C11H112164.8°180.0°
H102C10C11C12179.5°180.0°
H102C10C11H11154.3°59.9°
H102C10C11H11255.3°60.0°
C12C11H111H112117.2°120.0°
C11C12C13H121125.3°120.0°
C11C12C13H122125.3°120.0°
C11C12H121H122117.7°120.0°
C11C12C13H13169.0°60.0°
C11C12C13H132178.4°180.0°
H111C11C12C13179.6°180.0°
H111C11C12H12154.4°60.0°
H111C11C12H12255.1°60.0°
H112C11C12C1370.9°60.1°
H112C11C12H121163.8°179.9°
H112C11C12H12254.3°59.9°
C13C12H121H122117.6°120.0°
C12C13H131H132117.8°120.0°
H121C12C13H131165.7°180.0°
H121C12C13H13256.3°60.0°
H122C12C13H13156.3°60.0°
H122C12C13H13253.1°59.9°

222415

PDB entries from 2024-07-10

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