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JRW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C21sing1.53Å1.52Å
C21C23sing1.53Å1.52Å
C21C09sing1.53Å1.52Å
N12C09sing1.44Å1.45Å
N12C13sing1.43Å1.65Å
C08C09sing1.53Å1.45Å
C08C02sing1.52Å1.47Å
C09C10sing1.51Å1.57Å
C19C18sing1.51Å1.51Å
C18C20doub1.38Å1.52ÅAromatic
C18C17sing1.36Å1.53ÅAromatic
C20C14sing1.40Å1.51ÅAromatic
C17C16doub1.37Å1.52ÅAromatic
C14C13sing1.53Å1.57Å
C14C15doub1.33Å1.54ÅAromatic
C16C15sing1.41Å1.50ÅAromatic
C15C02sing1.50Å1.43Å
C02O01sing1.43Å1.41Å
C02N03sing1.50Å1.42Å
C10N03sing1.35Å1.32Å
C10O11doub1.21Å1.22Å
N03C04sing1.46Å1.36Å
C04C05sing1.54Å1.49Å
C04C07sing1.54Å1.49Å
C05C06sing1.54Å1.51Å
C07C06sing1.54Å1.50Å
N12H1sing1.01Å1.00Å
C13H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C17H5sing1.08Å1.08Å
C20H6sing1.08Å1.08Å
C21H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
O01H11sing0.97Å0.95Å
C04H12sing1.09Å1.10Å
C05H13sing1.09Å1.10Å
C05H14sing1.09Å1.10Å
C06H15sing1.09Å1.10Å
C06H16sing1.09Å1.10Å
C07H17sing1.09Å1.10Å
C07H18sing1.09Å1.10Å
C08H19sing1.09Å1.10Å
C08H20sing1.09Å1.10Å
C16H21sing1.08Å1.08Å
C19H22sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C23H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22C21C23112.1°109.5°
C22C21C09107.9°109.5°
C22C21H7108.5°109.5°
C21C22H8109.5°109.5°
C21C22H9109.5°109.5°
C21C22H10109.5°109.4°
C23C21C09111.2°109.5°
C23C21H7108.5°109.4°
C21C23H25109.5°109.4°
C21C23H26109.4°109.5°
C21C23H27109.5°109.5°
C21C09N12106.3°110.4°
C21C09C08113.9°111.2°
C21C09C10112.0°110.4°
C09C21H7108.5°109.5°
C09N12C13109.6°118.8°
N12C09C08109.8°107.8°
N12C09C10112.1°113.8°
C09N12H1109.4°111.0°
N12C13C14108.9°110.4°
C13N12H1109.5°111.0°
N12C13H3109.6°109.3°
N12C13H4109.6°109.3°
C09C08C02105.6°101.1°
C08C09C10102.7°102.9°
C09C08H19110.4°111.1°
C09C08H20110.4°111.1°
C08C02C15110.3°116.7°
C08C02O01111.7°113.1°
C08C02N03103.6°101.5°
C02C08H19110.4°110.9°
C02C08H20110.4°111.3°
C09C10N03105.3°109.5°
C09C10O11125.1°125.2°
C19C18C20121.2°120.7°
C19C18C17119.4°120.9°
C18C19H22109.5°109.5°
C18C19H23109.5°109.5°
C18C19H24109.5°109.5°
C20C18C17119.4°118.2°
C18C20C14120.5°121.1°
C18C20H6119.8°119.4°
C18C17C16119.4°120.1°
C18C17H5120.3°119.7°
C20C14C13118.7°112.3°
C20C14C15120.7°121.3°
C14C20H6119.8°119.5°
C17C16C15122.0°122.0°
C16C17H5120.3°120.1°
C17C16H21119.0°119.0°
C13C14C15120.6°126.4°
C14C13H3109.6°109.3°
C14C13H4109.6°109.1°
C14C15C16118.0°117.1°
C14C15C02122.5°132.0°
C16C15C02119.5°110.9°
C15C16H21119.0°119.0°
C15C02O01108.1°111.4°
C15C02N03113.4°102.2°
O01C02N03109.8°110.8°
C02O01H11109.5°114.0°
C02N03C10114.4°108.5°
C02N03C04117.0°125.7°
N03C10O11129.6°125.3°
C10N03C04128.6°125.7°
N03C04C05118.5°113.6°
N03C04C07116.5°113.6°
N03C04H12111.7°112.9°
C05C04C0788.6°87.1°
C04C05C0684.9°87.1°
C05C04H12109.7°113.6°
C04C05H13115.2°113.6°
C04C05H14115.2°113.6°
C04C07C0685.5°87.1°
C07C04H12109.8°113.6°
C04C07H17115.1°113.6°
C04C07H18115.1°113.6°
C05C06C0787.8°87.1°
C06C05H13115.2°113.6°
C06C05H14115.2°113.6°
C05C06H15114.6°113.6°
C05C06H16114.6°113.6°
C07C06H15114.6°113.6°
C07C06H16114.6°113.7°
C06C07H17115.1°113.6°
C06C07H18115.1°113.7°
H3C13H4109.5°109.3°
H8C22H9109.5°109.5°
H8C22H10109.5°109.5°
H9C22H10109.4°109.4°
H13C05H14109.5°112.9°
H15C06H16109.5°112.8°
H17C07H18109.5°112.9°
H19C08H20109.5°111.0°
H22C19H23109.5°109.5°
H22C19H24109.5°109.5°
H23C19H24109.4°109.4°
H25C23H26109.5°109.5°
H25C23H27109.5°109.5°
H26C23H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22C21C23C09120.8°120.0°
C22C21C23H7119.8°120.0°
C22C21C09H7117.4°120.0°
C22C21C09N1256.5°175.7°
C22C21C09C0864.7°56.0°
C22C21C09C10179.3°57.6°
C21C22H8H9120.0°120.0°
C21C22H8H10120.0°120.0°
C21C22H9H10120.0°120.0°
C22C21C23H25180.0°60.0°
C22C21C23H2660.0°60.0°
C22C21C23H2760.0°180.0°
C23C21C09H7119.3°120.0°
C23C21C09N12179.7°64.3°
C23C21C09C0858.6°176.1°
C23C21C09C1057.4°62.4°
C23C21C22H8180.0°60.1°
C23C21C22H960.0°180.0°
C23C21C22H1060.0°60.0°
C21C23H25H26120.0°120.0°
C21C23H25H27120.0°120.0°
C21C23H26H27120.0°120.1°
C21C09N12C08123.7°121.7°
C21C09N12C10122.8°124.8°
C21C09N12C13152.0°142.7°
C21C09C08C10121.4°118.2°
C21C09C08C02148.7°151.1°
C21C09C10N03139.3°132.5°
C21C09C10O1139.5°47.8°
C21C09N12H132.0°12.2°
C09C21C22H857.3°60.0°
C09C21C22H9177.3°60.0°
C09C21C22H1062.8°180.0°
C21C09C08H1991.9°33.4°
C21C09C08H2029.3°90.7°
C09C21C23H2559.2°60.0°
C09C21C23H2660.8°180.0°
C09C21C23H27179.2°60.0°
C09N12C13H1120.0°130.5°
N12C09C08C10119.5°120.6°
N12C09C08C0292.1°87.7°
C09N12C13C1476.9°69.0°
N12C09C10N03101.3°102.7°
N12C09C10O1180.0°77.0°
C09N12C13H343.1°51.3°
C09N12C13H4163.2°171.0°
N12C09C21H761.0°55.7°
N12C09C08H1927.3°154.6°
N12C09C08H20148.5°30.5°
C13N12C09C0884.3°95.6°
C13N12C09C1029.2°17.9°
N12C13C14C20125.4°144.3°
N12C13C14H3119.9°120.3°
N12C13C14H4119.9°120.2°
N12C13C14C1555.4°38.2°
N12C13H3H4120.2°119.6°
C09C08C02H19119.4°117.9°
C09C08C02H20119.4°118.1°
C09C08C02C1593.2°70.5°
C09C08C02O01146.6°158.3°
C09C08C02N0328.5°39.6°
C08C09C10N0316.6°13.6°
C08C09C10O11162.2°166.6°
C08C09N12H1155.7°133.9°
C08C09C21H7177.9°64.0°
C09C08H19H20121.8°124.2°
C02C08C09C1027.3°32.9°
C08C02C15C1462.6°41.6°
C08C02C15C16116.0°138.0°
C08C02C15O01122.4°131.9°
C08C02C15N03115.6°109.7°
C08C02O01N03114.3°113.2°
C08C02N03C1018.5°33.3°
C08C02N03C04159.2°146.7°
C08C02O01H11180.0°51.5°
C02C08H19H20121.8°124.2°
C09C10N03C021.4°12.2°
C09C10N03O11178.7°179.8°
C09C10N03C04176.1°167.7°
C10C09N12H190.8°112.6°
C10C09C21H761.9°177.6°
C10C09C08H19146.7°84.9°
C10C09C08H2092.0°151.1°
C19C18C20C17179.6°175.8°
C19C18C20C14179.9°179.7°
C19C18C17C16179.9°179.1°
C19C18C17H50.1°1.7°
C19C18C20H60.1°0.3°
C18C19H22H23120.0°120.0°
C18C19H22H24120.0°120.0°
C18C19H23H24120.0°120.0°
C18C20C14H6180.0°180.0°
C20C18C17C160.5°5.2°
C18C20C14C13179.5°178.9°
C18C20C14C150.4°1.2°
C20C18C17H5179.5°177.4°
C20C18C19H2290.2°90.0°
C20C18C19H23149.8°150.0°
C20C18C19H2429.8°30.0°
C17C18C20C140.5°4.6°
C18C17C16H5180.0°177.4°
C18C17C16C150.4°2.6°
C17C18C20H6179.5°175.4°
C18C17C16H21179.6°179.9°
C17C18C19H2290.2°94.3°
C17C18C19H2329.8°25.7°
C17C18C19H24149.8°145.6°
C20C14C13C15179.1°177.5°
C20C14C15C160.2°1.4°
C20C14C15C02178.8°178.1°
C20C14C13H3114.6°95.4°
C20C14C13H45.5°24.1°
C17C16C15C140.3°0.7°
C17C16C15H21180.0°177.4°
C17C16C15C02178.9°178.9°
C13C14C15C16179.3°175.9°
C13C14C15C022.1°4.6°
C14C13N12H1163.1°160.5°
C14C13H3H4120.3°119.4°
C13C14C20H60.5°1.1°
C14C15C16C02178.6°179.6°
C14C15C02O01175.1°173.5°
C14C15C02N0353.1°68.1°
C15C14C13H364.5°82.1°
C15C14C13H4175.4°158.4°
C15C14C20H6179.7°178.8°
C14C15C16H21179.7°176.7°
C16C15C02O016.4°6.0°
C16C15C02N03128.4°112.3°
C15C16C17H5179.6°180.0°
C15C02O01N03124.2°113.1°
C15C02N03C10101.0°87.6°
C15C02N03C0481.2°92.4°
C15C02O01H1158.5°174.8°
C15C02C08H1926.2°171.6°
C15C02C08H20147.5°47.5°
C02C15C16H211.2°3.7°
O01C02N03C10137.9°153.6°
O01C02N03C0439.8°26.3°
O01C02C08H1994.0°40.4°
O01C02C08H2027.2°83.6°
C02N03C10C04177.5°180.0°
C02N03C10O11180.0°167.5°
C02N03C04C05131.7°120.0°
C02N03C04C07124.5°142.5°
N03C02O01H1165.7°61.7°
C02N03C04H122.8°11.3°
N03C02C08H19147.9°78.3°
N03C02C08H2090.8°157.7°
C10N03C04C0545.7°60.0°
C10N03C04C0758.1°37.5°
C10N03C04H12174.6°168.8°
O11C10N03C042.6°12.5°
N03C04C05C07119.6°114.5°
N03C04C05H12129.8°130.9°
N03C04C07H12128.2°130.9°
N03C04C05C06146.7°139.9°
N03C04C07C06148.6°140.0°
N03C04C05H1397.8°105.5°
N03C04C05H1431.2°25.4°
N03C04C07H1733.0°25.4°
N03C04C07H1895.8°105.4°
C05C04C07H12110.4°114.6°
C04C05C06H13115.5°114.6°
C04C05C06H14115.5°114.6°
C05C04C07C0627.2°25.4°
C04C05H13H14131.8°131.2°
C04C05C06H1589.3°89.1°
C04C05C06H16143.0°140.1°
C05C04C07H1788.4°89.1°
C05C04C07H18142.9°140.0°
C04C07C06H17115.7°114.5°
C04C07C06H18115.7°114.5°
C07C04C05H13142.6°140.0°
C07C04C05H1488.5°89.2°
C04C07C06H1589.1°89.1°
C04C07C06H16143.1°140.0°
C04C07H17H18131.5°131.2°
C05C06C07H15116.1°114.5°
C05C06C07H16116.1°114.6°
C06C05C04H1283.5°89.2°
C06C05H13H14131.8°131.2°
C05C06H15H16130.3°131.2°
C05C06C07H1788.6°89.1°
C05C06C07H18142.7°139.9°
C06C07C04H1283.2°89.2°
C07C06C05H13142.4°140.0°
C07C06C05H1488.6°89.1°
C07C06H15H16130.3°131.4°
C06C07H17H18131.4°131.3°
H1N12C13H377.0°79.2°
H1N12C13H443.2°40.5°
H5C17C16H210.4°2.5°
H7C21C22H860.2°180.0°
H7C21C22H959.9°60.0°
H7C21C22H10179.8°60.0°
H7C21C23H2560.2°180.0°
H7C21C23H26179.9°60.0°
H7C21C23H2759.8°60.0°
H8C22H9H10120.0°120.0°
H12C04C05H1332.0°25.4°
H12C04C05H14161.0°156.3°
H12C04C07H17161.2°156.3°
H12C04C07H1832.4°25.4°
H13C05C06H1526.3°25.4°
H13C05C06H16101.5°105.3°
H14C05C06H15155.2°156.3°
H14C05C06H1627.5°25.5°
H15C06C07H17155.2°156.4°
H15C06C07H1826.6°25.4°
H16C06C07H1727.5°25.5°
H16C06C07H18101.2°105.5°
H22C19H23H24120.0°120.0°
H25C23H26H27120.0°120.0°

222415

PDB entries from 2024-07-10

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