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TEJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O21C17doub1.22Å1.23Å
C17O16sing1.34Å1.46Å
C18C17sing1.47Å1.34Å
C18C19sing1.52Å1.51Å
C20C18doub1.33Å1.33Å
C19C15sing1.54Å1.54Å
O16C15sing1.45Å1.44Å
C12C15sing1.53Å1.52Å
C12C10sing1.53Å1.54Å
C10C11sing1.53Å1.53Å
C7C10sing1.53Å1.55Å
C8C7sing1.55Å1.54Å
C9C8sing1.55Å1.53Å
C9C5sing1.53Å1.53Å
C6C7sing1.52Å1.54Å
C6C5sing1.56Å1.52Å
C6C1sing1.51Å1.54Å
C22C6sing1.53Å1.55Å
C4C5sing1.50Å1.50Å
C4C3sing1.52Å1.52Å
C3C2sing1.53Å1.54Å
C2C1sing1.55Å1.55Å
C23C4doub1.33Å1.36Å
C24C23sing1.47Å1.47Å
C25C24doub1.35Å1.35Å
C26C25sing1.52Å1.50Å
C27C26sing1.53Å1.54Å
C27O34sing1.43Å1.43Å
C73C27sing1.53Å1.53Å
C73C29sing1.53Å1.53Å
C29C30sing1.52Å1.51Å
O32C29sing1.43Å1.43Å
C30C25sing1.48Å1.47Å
C31C30doub1.33Å1.33Å
C31H31sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C20H20Asing1.08Å1.08Å
C19H19sing1.09Å1.10Å
C19H51sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C11H11Bsing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C22H22Bsing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C23H23sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27H27sing1.09Å1.10Å
O34HO34sing0.97Å0.95Å
C73H73sing1.09Å1.10Å
C73H73Asing1.09Å1.10Å
C29H29sing1.09Å1.10Å
O32HO32sing0.97Å0.95Å
C31H31Asing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O21C17O16120.7°124.3°
O21C17C18127.3°124.3°
O16C17C18112.0°111.4°
C17O16C15106.4°111.5°
C17C18C19110.3°106.5°
C17C18C20127.4°126.8°
C19C18C20122.4°126.8°
C18C19C15102.6°104.1°
C18C19H19111.8°110.5°
C18C19H51113.3°110.5°
C18C20H20106.9°120.0°
C18C20H20A126.5°120.0°
C19C15O16108.0°106.5°
C19C15C12108.1°110.0°
C15C19H19111.8°110.5°
C15C19H51113.3°110.6°
C19C15H15112.0°110.1°
O16C15C12111.4°110.3°
O16C15H15108.7°109.8°
C15C12C10116.0°109.5°
C12C15H15108.7°110.0°
C15C12H12107.3°109.5°
C15C12H12A105.9°109.5°
C12C10C11115.6°109.5°
C12C10C7115.0°109.5°
C10C12H12107.4°109.4°
C10C12H12A105.9°109.5°
C12C10H10100.1°109.5°
C11C10C7107.9°109.4°
C11C10H10108.5°109.4°
C10C11H11109.5°109.4°
C10C11H11A109.5°109.4°
C10C11H11B109.5°109.5°
C10C7C8111.3°110.3°
C10C7C6122.9°110.3°
C7C10H10109.2°109.5°
C10C7H796.6°110.3°
C7C8C9105.6°106.3°
C8C7C6105.3°105.1°
C8C7H7117.3°110.3°
C7C8H8110.8°110.1°
C7C8H8A111.6°110.1°
C8C9C5102.9°102.8°
C9C8H8110.8°110.1°
C9C8H8A111.6°110.1°
C8C9H9111.7°110.7°
C8C9H9A113.1°110.8°
C9C5C6106.6°101.3°
C9C5C4118.6°116.7°
C5C9H9111.8°110.7°
C5C9H9A113.1°110.7°
C9C5H5105.3°110.7°
C7C6C596.3°103.2°
C7C6C1116.9°118.4°
C7C6C22114.5°109.2°
C6C7H7103.7°110.3°
C5C6C1109.1°107.7°
C5C6C22112.3°109.1°
C6C5C4109.5°106.0°
C6C5H5115.1°110.8°
C1C6C22107.3°108.8°
C6C1C2112.7°107.1°
C6C1H1108.4°109.8°
C6C1H1A107.7°109.8°
C6C22H22109.5°109.5°
C6C22H22A109.5°109.5°
C6C22H22B109.4°109.5°
C5C4C3114.5°115.2°
C5C4C23121.4°122.4°
C4C5H5102.1°110.7°
C4C3C2111.5°110.7°
C3C4C23124.1°122.4°
C4C3H3108.8°109.2°
C4C3H3A108.4°109.3°
C3C2C1116.2°111.6°
C2C3H3108.8°109.2°
C2C3H3A108.4°109.2°
C3C2H2107.3°109.1°
C3C2H2A105.7°109.0°
C1C2H2107.3°108.6°
C1C2H2A105.7°109.5°
C2C1H1108.4°110.2°
C2C1H1A107.6°109.9°
C4C23C24123.9°120.0°
C4C23H23118.1°120.0°
C23C24C25125.4°120.0°
C24C23H23118.1°120.0°
C23C24H24117.3°120.0°
C24C25C26118.7°121.6°
C24C25C30125.1°121.6°
C25C24H24117.3°120.0°
C25C26C27110.1°108.3°
C26C25C30116.2°116.8°
C25C26H26109.3°109.7°
C25C26H26A109.1°109.6°
C26C27O34110.6°109.4°
C26C27C73112.8°109.8°
C27C26H26109.3°109.7°
C27C26H26A109.1°109.7°
C26C27H27105.8°109.4°
O34C27C73107.3°109.4°
O34C27H27111.4°109.4°
C27O34HO34109.5°114.0°
C27C73C29113.8°109.8°
C73C27H27109.1°109.4°
C27C73H73108.1°109.4°
C27C73H73A107.1°109.4°
C73C29C30109.9°108.3°
C73C29O32106.9°109.7°
C29C73H73108.0°109.4°
C29C73H73A107.0°109.4°
C73C29H29111.6°109.7°
C30C29O32111.4°109.9°
C29C30C25117.5°116.5°
C29C30C31121.0°121.6°
C30C29H29107.1°109.5°
O32C29H29110.1°109.8°
C29O32HO32109.5°114.0°
C25C30C31121.5°121.9°
C30C31H31106.4°120.0°
C30C31H31A126.8°120.0°
H31C31H31A126.8°120.0°
H20C20H20A126.6°120.0°
H19C19H51104.3°110.6°
H12C12H12A114.7°109.5°
H11C11H11A109.4°109.5°
H11C11H11B109.5°109.5°
H11AC11H11B109.5°109.5°
H8C8H8A106.5°110.1°
H9C9H9A104.5°110.8°
H22C22H22A109.5°109.5°
H22C22H22B109.4°109.5°
H22AC22H22B109.5°109.5°
H3C3H3A111.0°109.2°
H2C2H2A114.9°109.0°
H1C1H1A112.1°109.9°
H26C26H26A110.0°109.7°
H73C73H73A112.9°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O21C17O16C18179.5°179.7°
O21C17C18C19178.6°180.0°
O21C17C18C201.8°0.1°
O21C17O16C15173.6°179.8°
O16C17C18C192.0°0.3°
O16C17C18C20177.6°179.7°
C17O16C15C198.8°0.4°
C17O16C15C12127.4°119.0°
C17O16C15H15112.9°119.6°
C17C18C19C20179.6°180.0°
C17C18C19C153.4°0.0°
C18C17O16C156.9°0.5°
C17C18C20H200.2°0.0°
C17C18C20H20A179.8°180.0°
C17C18C19H19116.6°118.6°
C17C18C19H51125.9°118.7°
C18C19C15H19120.0°118.6°
C18C19C15H51122.5°118.6°
C18C19C15O167.5°0.2°
C18C19C15C12128.2°119.3°
C19C18C20H20179.8°180.0°
C19C18C20H20A0.2°0.0°
C18C19H19H51122.8°122.6°
C18C19C15H15112.1°119.2°
C20C18C19C15177.0°180.0°
C18C20H20H20A180.0°180.0°
C20C18C19H1963.1°61.4°
C20C18C19H5154.5°61.3°
C19C15O16C12118.6°119.4°
C19C15O16H15121.7°119.2°
C19C15C12H15121.7°121.4°
C19C15C12C10142.6°175.0°
C15C19H19H51122.8°122.7°
C19C15C12H1297.4°65.0°
C19C15C12H12A25.5°55.0°
O16C15C12H15119.7°121.3°
O16C15C12C1098.8°67.7°
O16C15C19H19112.5°118.9°
O16C15C19H51130.0°118.4°
O16C15C12H1221.2°52.2°
O16C15C12H12A144.1°172.2°
C15C12C10H12120.0°120.0°
C15C12C10H12A117.0°120.0°
C15C12C10C1144.9°65.0°
C15C12C10C7171.8°175.0°
C12C15C19H198.3°0.7°
C12C15C19H51109.3°122.1°
C15C12H12H12A117.3°120.0°
C15C12C10H1071.4°55.0°
C12C10C11C7130.4°120.0°
C12C10C11H10111.4°120.0°
C12C10C7H10111.6°120.1°
C12C10C7C899.4°177.2°
C12C10C7C626.8°61.5°
C10C12C15H1520.9°53.6°
C10C12H12H12A117.3°120.0°
C12C10C11H11177.7°60.0°
C12C10C11H11A62.4°60.0°
C12C10C11H11B57.7°180.0°
C12C10C7H7137.8°60.7°
C11C10C7H10117.7°119.9°
C11C10C7C8129.9°62.8°
C11C10C7C6103.9°178.5°
C11C10C12H12164.9°175.0°
C11C10C12H12A72.1°55.0°
C10C11H11H11A120.0°119.9°
C10C11H11H11B120.0°120.1°
C10C11H11AH11B120.0°120.0°
C11C10C7H77.1°59.3°
C10C7C8C6135.4°118.9°
C10C7C8H7109.9°122.1°
C10C7C8C9161.8°122.8°
C10C7C6H7107.4°122.1°
C10C7C6C5172.6°149.0°
C10C7C6C172.2°92.2°
C10C7C6C2254.6°33.1°
C7C10C12H1268.2°55.0°
C7C10C12H12A54.7°65.0°
C7C10C11H1151.9°60.0°
C7C10C11H11A68.0°180.0°
C7C10C11H11B171.9°60.0°
C10C7C8H878.2°117.9°
C10C7C8H8A40.4°3.6°
C7C8C9H8120.0°119.2°
C7C8C9H8A121.5°119.2°
C7C8C9C52.9°24.2°
C8C7C6H7123.8°118.9°
C8C7C6C543.9°30.1°
C8C7C6C1159.0°148.9°
C8C7C6C2274.2°85.9°
C8C7C10H1012.1°57.1°
C7C8H8H8A121.6°121.5°
C7C8C9H9123.0°142.5°
C7C8C9H9A119.4°94.1°
C8C9C5H9120.0°118.3°
C8C9C5H9A122.4°118.4°
C9C8C7C626.5°3.9°
C8C9C5C632.1°42.3°
C8C9C5C4156.1°156.8°
C9C8C7H788.3°115.1°
C9C8H8H8A121.6°121.6°
C8C9H9H9A122.6°123.4°
C8C9C5H590.6°75.3°
C9C5C6C746.7°45.4°
C9C5C6C4129.4°122.3°
C9C5C6H5116.3°117.5°
C9C5C6C1168.1°171.4°
C9C5C6C2273.0°70.6°
C9C5C4H5115.0°127.8°
C9C5C4C3176.4°169.6°
C9C5C4C235.3°10.4°
C5C9C8H8117.1°95.0°
C5C9C8H8A124.4°143.4°
C5C9H9H9A122.7°123.3°
C7C6C5C1121.3°125.9°
C7C6C5C22119.8°116.1°
C7C6C1C22130.3°125.4°
C7C6C5C4176.2°167.7°
C7C6C1C2161.7°175.8°
C6C7C10H10138.3°58.6°
C6C7C8H8146.5°123.1°
C6C7C8H8A95.0°115.3°
C7C6C5H569.6°72.1°
C7C6C22H22179.5°68.5°
C7C6C22H22A60.5°171.5°
C7C6C22H22B59.6°51.5°
C7C6C1H178.3°56.1°
C7C6C1H1A43.1°64.9°
C5C6C1C22121.9°118.2°
C6C5C4H5122.5°120.3°
C6C5C4C361.1°57.7°
C5C6C1C253.9°67.9°
C6C5C4C23117.2°122.3°
C5C6C7H780.0°88.8°
C6C5C9H9152.1°160.5°
C6C5C9H9A90.2°76.1°
C5C6C22H2272.0°179.4°
C5C6C22H22A48.0°59.4°
C5C6C22H22B168.0°60.6°
C5C6C1H1173.9°172.4°
C5C6C1H1A64.7°51.4°
C1C6C5C462.5°66.4°
C6C1C2C343.1°59.5°
C6C1C2H1120.0°119.4°
C6C1C2H1A118.6°119.3°
C1C6C7H735.2°29.9°
C1C6C5H551.8°53.9°
C1C6C22H2247.9°62.1°
C1C6C22H22A167.9°57.9°
C1C6C22H22B72.0°177.9°
C6C1C2H2163.1°179.8°
C6C1C2H2A73.8°61.4°
C6C1H1H1A118.7°120.9°
C22C6C5C456.4°51.6°
C22C6C1C268.1°50.3°
C22C6C7H7162.0°155.2°
C22C6C5H5170.7°171.9°
C6C22H22H22A120.0°120.0°
C6C22H22H22B119.9°120.0°
C6C22H22AH22B120.0°120.0°
C22C6C1H151.9°69.4°
C22C6C1H1A173.4°169.6°
C5C4C3C23178.3°180.0°
C5C4C3C247.7°50.2°
C5C4C23C24179.7°180.0°
C4C5C9H983.9°84.9°
C4C5C9H9A33.8°38.4°
C5C4C3H372.3°70.1°
C5C4C3H3A166.9°170.5°
C5C4C23H230.3°0.0°
C4C3C2H3120.0°120.3°
C4C3C2H3A119.2°120.4°
C4C3C2C138.4°49.1°
C3C4C23C241.5°0.0°
C3C4C5H561.3°62.6°
C4C3H3H3A119.2°119.5°
C4C3C2H2158.4°169.2°
C4C3C2H2A78.5°72.0°
C3C4C23H23178.5°180.0°
C3C2C1H2120.0°120.3°
C3C2C1H2A116.9°120.8°
C2C3C4C23130.6°129.8°
C2C3H3H3A119.2°119.3°
C3C2H2H2A117.2°118.9°
C3C2C1H1163.1°178.9°
C3C2C1H1A75.5°59.8°
C1C2C3H381.6°71.2°
C1C2C3H3A157.6°169.5°
C1C2H2H2A117.3°119.2°
C2C1H1H1A118.7°121.3°
C4C23C24H23180.0°180.0°
C4C23C24C25150.5°180.0°
C23C4C5H5120.3°117.4°
C23C4C3H3109.4°109.9°
C23C4C3H3A11.4°9.5°
C4C23C24H2429.4°0.0°
C23C24C25H24180.0°179.9°
C23C24C25C26179.4°180.0°
C23C24C25C300.6°0.2°
C24C25C26C30178.9°179.8°
C24C25C26C27131.9°133.4°
C24C25C30C29132.1°136.8°
C24C25C30C3150.5°42.9°
C25C24C23H2329.5°0.1°
C24C25C26H26108.1°13.7°
C24C25C26H26A12.1°106.9°
C25C26C27H26120.0°119.7°
C25C26C27H26A119.7°119.7°
C25C26C27O3469.5°177.8°
C25C26C27C7350.6°57.7°
C26C25C30C2946.7°43.5°
C26C25C30C31130.6°136.8°
C26C25C24H240.6°0.0°
C25C26H26H26A119.7°120.5°
C25C26C27H27169.7°62.4°
C26C27O34C73123.4°120.4°
C26C27O34H27117.3°119.8°
C26C27C73H27117.2°120.1°
C26C27C73C2953.9°66.3°
C27C26C25C3047.1°46.8°
C27C26H26H26A119.7°120.6°
C26C27O34HO34177.3°59.9°
C26C27C73H7366.1°173.7°
C26C27C73H73A172.0°53.8°
O34C27C73H27120.8°119.8°
O34C27C73C2968.1°173.6°
O34C27C26H26170.5°62.5°
O34C27C26H26A50.2°58.2°
O34C27C73H73171.9°53.6°
O34C27C73H73A50.0°66.3°
C27C73C29H73120.0°120.1°
C27C73C29H73A118.1°120.1°
C27C73C29C3048.7°57.9°
C27C73C29O32169.7°62.0°
C73C27C26H2669.4°177.4°
C73C27C26H26A170.3°62.0°
C73C27O34HO3459.3°179.7°
C27C73H73H73A118.3°119.8°
C27C73C29H2969.9°177.4°
C73C29C30O32118.2°119.8°
C73C29C30H29121.3°119.6°
C73C29O32H29121.3°120.6°
C73C29C30C2545.3°46.9°
C73C29C30C31132.0°133.4°
C29C73C27H27171.1°53.8°
C29C73H73H73A118.2°119.8°
C73C29O32HO3211.2°180.0°
C30C29O32H29118.6°120.5°
C29C30C25C31177.4°179.7°
C29C30C31H311.4°0.0°
C30C29C73H7371.3°178.0°
C30C29C73H73A166.9°62.2°
C30C29O32HO32108.8°61.1°
C29C30C31H31A178.6°180.0°
O32C29C30C25163.6°72.9°
O32C29C30C3113.8°106.8°
O32C29C73H7349.7°58.1°
O32C29C73H73A72.2°177.9°
C25C30C31H31178.6°179.7°
C30C25C24H24179.5°179.7°
C30C25C26H2672.9°166.6°
C30C25C26H26A166.8°72.9°
C25C30C29H2976.0°166.5°
C25C30C31H31A1.4°0.3°
C30C31H31H31A180.0°180.0°
C31C30C29H29106.6°13.8°
H19C19C15H15127.9°122.1°
H51C19C15H1510.4°0.6°
H15C15C12H12140.9°173.5°
H15C15C12H12A96.2°66.5°
H12C12C10H1048.6°65.0°
H12AC12C10H10171.6°175.0°
H10C10C11H1166.2°180.0°
H10C10C11H11A173.8°60.1°
H10C10C11H11B53.8°60.0°
H10C10C7H7110.6°179.3°
H11C11H11AH11B120.0°120.0°
H7C7C8H831.7°4.2°
H7C7C8H8A150.2°125.8°
H8C8C9H93.0°23.2°
H8C8C9H9A120.6°146.7°
H8AC8C9H9115.6°98.4°
H8AC8C9H9A2.0°25.1°
H9C9C5H529.4°42.9°
H9AC9C5H5147.0°166.3°
H22C22H22AH22B120.0°120.0°
H3C3C2H238.4°48.8°
H3C3C2H2A161.5°167.7°
H3AC3C2H282.4°70.5°
H3AC3C2H2A40.7°48.4°
H2C2C1H176.9°60.8°
H2C2C1H1A44.5°60.5°
H2AC2C1H146.2°58.1°
H2AC2C1H1A167.6°179.4°
H23C23C24H24150.5°180.0°
H26C26C27H2749.7°57.4°
H26AC26C27H2770.5°178.0°
H27C27O34HO3460.0°59.9°
H27C27C73H7351.1°66.3°
H27C27C73H73A70.8°173.9°
H73C73C29H29170.1°62.6°
H73AC73C29H2948.3°57.3°
H29C29O32HO32132.5°59.4°

222415

PDB entries from 2024-07-10

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