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A1JSX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2doub1.22Å1.22Å
C2N3sing1.35Å1.34Å
N3C4sing1.47Å1.46Å
C4C5sing1.53Å1.52Å
C5C6sing1.53Å1.53Å
C6C7sing1.53Å1.53Å
C7C8sing1.53Å1.52Å
C8C9sing1.53Å1.53Å
C9C10sing1.55Å1.54Å
C10C11sing1.54Å1.52Å
C11C12sing1.54Å1.53Å
C12C13sing1.54Å1.53Å
C2C14sing1.48Å1.49Å
C14C15doub1.40Å1.39ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C17C18sing1.39Å1.39ÅAromatic
C18C19doub1.39Å1.39ÅAromatic
C18N20sing1.40Å1.43Å
N20C21sing1.47Å1.47Å
C21C22sing1.54Å1.51Å
C22C23sing1.55Å1.52Å
C23C24sing1.51Å1.50Å
C24O25doub1.21Å1.22Å
C8N3sing1.47Å1.48Å
C13C9sing1.55Å1.53Å
C14C19sing1.39Å1.39ÅAromatic
C24N20sing1.34Å1.36Å
C4H4Asing1.09Å1.10Å
C4H4Bsing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C5H5Bsing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C6H6Bsing1.09Å1.10Å
C7H7Bsing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C10H10Bsing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C13H13Bsing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C15H15sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C21H21Bsing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22Bsing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C11H11Bsing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12H12Bsing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C16H16sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C23H23Asing1.09Å1.10Å
C23H23Bsing1.09Å1.10Å
C9H9sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C2N3121.2°120.1°
O1C2C14119.7°120.0°
C2N3C4120.7°120.6°
N3C2C14119.1°120.0°
C2N3C8124.2°120.6°
N3C4C5109.9°108.8°
C4N3C8115.0°118.7°
N3C4H4A109.4°109.6°
N3C4H4B109.4°109.6°
C4C5C6111.2°109.3°
C5C4H4A109.4°109.6°
C5C4H4B109.4°109.6°
C4C5H5A109.0°109.5°
C4C5H5B109.0°109.5°
C5C6C7111.6°109.5°
C6C5H5A109.0°109.5°
C6C5H5B109.0°109.5°
C5C6H6A108.9°109.5°
C5C6H6B108.9°109.5°
C6C7C8109.9°109.3°
C7C6H6A108.9°109.4°
C7C6H6B108.9°109.5°
C6C7H7B109.4°109.5°
C6C7H7A109.4°109.4°
C7C8C9114.5°109.6°
C7C8N3109.5°108.8°
C8C7H7B109.4°109.5°
C8C7H7A109.4°109.5°
C7C8H8107.4°109.6°
C8C9C10113.7°110.8°
C9C8N3110.1°109.6°
C8C9C13114.8°110.7°
C9C8H8107.3°109.6°
C8C9H9108.4°110.7°
C9C10C11104.6°104.2°
C10C9C13103.0°102.7°
C9C10H10B110.7°110.5°
C9C10H10A110.7°110.6°
C10C9H9108.3°110.9°
C10C11C12106.0°106.6°
C11C10H10B110.7°110.5°
C11C10H10A110.7°110.5°
C10C11H11B110.3°110.1°
C10C11H11A110.3°110.1°
C11C12C13107.1°106.6°
C12C11H11B110.3°110.0°
C12C11H11A110.3°110.0°
C11C12H12B110.1°110.1°
C11C12H12A110.1°110.0°
C12C13C9105.3°104.2°
C12C13H13B110.5°110.5°
C12C13H13A110.5°110.6°
C13C12H12B110.1°110.0°
C13C12H12A110.1°110.0°
C2C14C15120.5°120.1°
C2C14C19119.7°120.1°
C14C15C16120.2°120.0°
C15C14C19119.6°119.8°
C14C15H15119.9°120.0°
C15C16C17120.3°120.2°
C16C15H15119.9°120.0°
C15C16H16119.8°119.9°
C16C17C18119.8°120.2°
C16C17H17120.1°119.9°
C17C16H16119.8°119.8°
C17C18C19119.7°120.0°
C17C18N20121.4°120.0°
C18C17H17120.1°119.9°
C19C18N20118.8°120.0°
C18C19C14120.3°119.8°
C18C19H19119.9°120.1°
C18N20C21120.0°124.4°
C18N20C24126.8°124.4°
N20C21C22104.1°105.5°
C21N20C24113.1°111.3°
N20C21H21B110.8°110.2°
N20C21H21A110.8°110.3°
C21C22C23105.8°101.8°
C22C21H21B110.8°110.3°
C22C21H21A110.8°110.3°
C21C22H22B110.4°111.0°
C21C22H22A110.4°111.0°
C22C23C24105.0°104.2°
C23C22H22B110.4°111.0°
C23C22H22A110.4°111.0°
C22C23H23A110.6°110.5°
C22C23H23B110.6°110.5°
C23C24O25126.7°125.0°
C23C24N20108.3°110.1°
C24C23H23A110.6°110.5°
C24C23H23B110.6°110.4°
O25C24N20125.0°124.9°
N3C8H8107.9°109.7°
C9C13H13B110.5°110.5°
C9C13H13A110.5°110.5°
C13C9H9108.3°110.8°
C14C19H19119.9°120.1°
H4AC4H4B109.4°109.7°
H5AC5H5B109.5°109.6°
H6AC6H6B109.5°109.4°
H7BC7H7A109.5°109.5°
H10BC10H10A109.5°110.4°
H13BC13H13A109.5°110.5°
H21BC21H21A109.5°110.2°
H22BC22H22A109.5°110.8°
H11BC11H11A109.5°110.1°
H12BC12H12A109.4°110.1°
H23AC23H23B109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2N3C14179.8°180.0°
O1C2N3C411.2°165.4°
O1C2C14C15117.0°168.9°
O1C2N3C8165.6°14.2°
O1C2C14C1958.7°11.1°
C2N3C4C8177.1°179.6°
C2N3C4C5125.8°126.1°
C2N3C8C7124.2°126.0°
C2N3C8C9109.1°6.2°
N3C2C14C1562.8°11.0°
N3C2C14C19121.5°169.0°
C2N3C4H4A5.7°114.2°
C2N3C4H4B114.1°6.2°
C2N3C8H87.6°114.1°
N3C4C5H4A120.1°119.8°
N3C4C5H4B120.1°119.8°
N3C4C5C652.9°54.6°
C4N3C8C758.8°53.5°
C4N3C8C967.9°173.4°
C4N3C2C14168.5°14.7°
N3C4H4AH4B119.8°120.4°
N3C4C5H5A67.4°174.5°
N3C4C5H5B173.2°65.3°
C4N3C8H8175.3°66.3°
C4C5C6H5A120.3°119.9°
C4C5C6H5B120.3°119.9°
C4C5C6C753.8°61.3°
C5C4N3C857.0°53.5°
C5C4H4AH4B119.8°120.3°
C4C5H5AH5B119.2°120.1°
C4C5C6H6A174.1°58.7°
C4C5C6H6B66.5°178.6°
C5C6C7H6A120.3°120.0°
C5C6C7H6B120.3°120.1°
C5C6C7C855.0°61.4°
C6C5C4H4A173.0°65.2°
C6C5C4H4B67.2°174.5°
C6C5H5AH5B119.2°120.1°
C5C6H6AH6B119.0°120.0°
C5C6C7H7B65.0°178.7°
C5C6C7H7A175.1°58.6°
C6C7C8H7B120.0°120.0°
C6C7C8H7A120.1°119.9°
C6C7C8C968.5°174.4°
C6C7C8N355.6°54.6°
C7C6C5H5A66.5°178.7°
C7C6C5H5B174.1°58.6°
C7C6H6AH6B119.0°120.0°
C6C7H7BH7A119.8°120.0°
C6C7C8H8172.5°65.3°
C7C8C9N3123.8°119.3°
C7C8C9H8119.0°120.3°
C7C8C9C10175.6°67.3°
C7C8N3H8116.6°119.9°
C7C8C9C1357.2°46.0°
C8C7C6H6A175.3°58.7°
C8C7C6H6B65.3°178.6°
C8C7H7BH7A119.8°120.1°
C7C8C9H964.0°169.2°
C8C9C10C13124.9°118.3°
C8C9C10H9120.5°123.3°
C8C9C10C11162.6°156.3°
C8C9C13C12156.6°156.3°
C9C8N3H8116.8°120.3°
C8C9C13H9121.2°123.2°
C9C8C7H7B171.4°65.6°
C9C8C7H7A51.5°54.5°
C8C9C10H10B78.1°37.6°
C8C9C10H10A43.4°85.0°
C8C9C13H13B84.1°85.1°
C8C9C13H13A37.3°37.4°
C9C10C11H10B119.2°118.7°
C9C10C11H10A119.2°118.9°
C9C10C11C1228.7°23.6°
C10C9C13C1232.3°37.9°
C10C9C8N360.6°173.4°
C10C9C13H9114.5°118.5°
C10C9C8H856.5°53.0°
C9C10H10BH10A122.3°122.7°
C10C9C13H13B151.7°156.6°
C10C9C13H13A87.0°80.9°
C9C10C11H11B90.8°95.7°
C9C10C11H11A148.1°142.9°
C10C11C12H11B119.5°119.3°
C10C11C12H11A119.5°119.3°
C10C11C12C138.4°0.0°
C11C10C9C1337.7°37.9°
C11C10H10BH10A122.3°122.5°
C10C11H11BH11A121.6°121.5°
C10C11C12H12B128.0°119.3°
C10C11C12H12A111.2°119.3°
C11C10C9H976.9°80.4°
C11C12C13H12B119.6°119.3°
C11C12C13H12A119.7°119.3°
C11C12C13C915.1°23.6°
C12C11C10H10B147.9°95.1°
C12C11C10H10A90.6°142.5°
C11C12C13H13B134.4°142.2°
C11C12C13H13A104.2°95.1°
C12C11H11BH11A121.6°121.3°
C11C12H12BH12A121.1°121.4°
C12C13C9H13B119.4°118.6°
C12C13C9H13A119.3°118.8°
C12C13H13BH13A121.9°122.7°
C13C12C11H11B111.1°119.3°
C13C12C11H11A127.9°119.3°
C13C12H12BH12A121.1°121.4°
C12C13C9H982.2°80.5°
C2C14C15C19175.7°180.0°
C2C14C15C16175.4°180.0°
C2C14C19C18175.6°180.0°
C14C2N3C814.6°165.8°
C2C14C15H154.6°0.3°
C2C14C19H194.4°0.0°
C14C15C16H15180.0°179.7°
C14C15C16C170.2°0.3°
C15C14C19C180.2°0.0°
C14C15C16H16179.8°179.8°
C15C14C19H19179.8°179.9°
C15C16C17H16180.0°180.0°
C15C16C17C180.0°0.5°
C16C15C14C190.3°0.0°
C15C16C17H17180.0°180.0°
C16C17C18H17180.0°179.5°
C16C17C18C190.1°0.5°
C16C17C18N20176.9°179.4°
C17C16C15H15179.8°180.0°
C17C18C19N20177.1°179.9°
C17C18N20C21172.7°5.7°
C17C18C19C140.0°0.2°
C17C18N20C244.5°174.2°
C18C17C16H16180.0°179.5°
C17C18C19H19180.0°179.7°
C19C18N20C2110.3°174.2°
C18C19C14H19180.0°179.9°
C19C18N20C24172.5°5.9°
C19C18C17H17179.9°180.0°
C18N20C21C24177.5°180.0°
C18N20C21C22172.2°163.0°
C18N20C24C23175.4°179.6°
C18N20C24O253.6°0.4°
N20C18C19C14177.1°179.7°
N20C18C17H173.1°0.1°
C18N20C21H21B53.1°78.0°
C18N20C21H21A68.7°44.0°
N20C18C19H193.0°0.4°
N20C21C22H21B119.2°119.0°
N20C21C22H21A119.1°119.0°
N20C21C22C2317.8°25.4°
C21N20C24C231.9°0.4°
C21N20C24O25179.1°179.6°
N20C21H21BH21A122.5°122.0°
N20C21C22H22B101.6°92.7°
N20C21C22H22A137.2°143.6°
C21C22C23H22B119.4°118.1°
C21C22C23H22A119.4°118.1°
C21C22C23C2419.1°24.8°
C22C21N20C2410.2°17.0°
C22C21H21BH21A122.5°122.0°
C21C22H22BH22A121.7°123.7°
C21C22C23H23A138.4°143.5°
C21C22C23H23B100.2°93.8°
C22C23C24H23A119.3°118.7°
C22C23C24H23B119.3°118.7°
C22C23C24O25167.8°163.7°
C22C23C24N2013.2°16.2°
C23C22C21H21B136.9°93.5°
C23C22C21H21A101.3°144.5°
C23C22H22BH22A121.7°123.8°
C22C23H23AH23B122.1°122.7°
C23C24O25N20178.8°180.0°
C24C23C22H22B100.4°93.3°
C24C23C22H22A138.5°142.9°
C24C23H23AH23B122.1°122.5°
O25C24C23H23A48.5°45.0°
O25C24C23H23B72.9°77.6°
N3C8C9C13179.0°73.3°
C8N3C4H4A177.1°66.2°
C8N3C4H4B63.0°173.4°
N3C8C7H7B64.4°174.6°
N3C8C7H7A175.7°65.3°
N3C8C9H959.8°49.9°
C13C9C8H861.8°166.3°
C13C9C10H10B156.9°80.7°
C13C9C10H10A81.5°156.7°
C9C13H13BH13A121.9°122.5°
C9C13C12H12B104.5°142.9°
C9C13C12H12A134.7°95.7°
C19C14C15H15179.7°179.7°
C24N20C21H21B129.4°102.0°
C24N20C21H21A108.9°136.1°
N20C24C23H23A132.5°135.0°
N20C24C23H23B106.1°102.5°
H4AC4C5H5A52.7°54.8°
H4AC4C5H5B66.7°174.9°
H4BC4C5H5A172.6°65.6°
H4BC4C5H5B53.1°54.5°
H5AC5C6H6A53.8°61.3°
H5AC5C6H6B173.2°58.7°
H5BC5C6H6A65.6°178.6°
H5BC5C6H6B53.8°61.5°
H6AC6C7H7B55.3°61.3°
H6AC6C7H7A64.6°178.6°
H6BC6C7H7B174.7°58.6°
H6BC6C7H7A54.8°61.4°
H7BC7C8H852.5°54.7°
H7AC7C8H867.4°174.8°
H8C8C9H9177.0°70.4°
H10BC10C11H11B28.4°145.6°
H10BC10C11H11A92.7°24.1°
H10BC10C9H942.4°160.9°
H10AC10C11H11B150.0°23.2°
H10AC10C11H11A28.9°98.3°
H10AC10C9H9163.9°38.3°
H13BC13C12H12B14.8°98.5°
H13BC13C12H12A105.9°23.0°
H13BC13C9H937.2°38.1°
H13AC13C12H12B136.1°24.2°
H13AC13C12H12A15.4°145.6°
H13AC13C9H9158.5°160.6°
H15C15C16H160.2°0.1°
H17C17C16H160.0°0.0°
H21BC21C22H22B17.5°148.3°
H21BC21C22H22A103.6°24.6°
H21AC21C22H22B139.2°26.3°
H21AC21C22H22A18.1°97.4°
H22BC22C23H23A18.9°25.3°
H22BC22C23H23B140.3°148.0°
H22AC22C23H23A102.2°98.4°
H22AC22C23H23B19.2°24.3°
H11BC11C12H12B8.6°121.4°
H11BC11C12H12A129.3°0.1°
H11AC11C12H12B112.5°0.0°
H11AC11C12H12A8.2°121.4°

262513

PDB entries from 2026-11-04

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