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A1H89

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C13sing1.53Å1.53Å
C14C15sing1.53Å1.55Å
O26S25doub1.42Å1.43Å
C13C12sing1.53Å1.53Å
C15C16sing1.53Å1.53Å
C16C17sing1.53Å1.54Å
C18C17sing1.53Å1.53Å
C18C11sing1.53Å1.54Å
F28C9sing1.35Å1.33Å
O27S25doub1.42Å1.45Å
S25N56sing1.66Å1.67Å
S25C8sing1.76Å1.76Å
C11C12sing1.53Å1.54Å
C11N29sing1.47Å1.45Å
C9C8doub1.38Å1.39ÅAromatic
C9C10sing1.39Å1.41ÅAromatic
C8C7sing1.38Å1.38ÅAromatic
N29C10sing1.40Å1.39Å
C10C4doub1.39Å1.42ÅAromatic
O22C3sing1.43Å1.42Å
C7F24sing1.35Å1.33Å
C7C5doub1.39Å1.39ÅAromatic
C4C5sing1.39Å1.41ÅAromatic
C4S20sing1.76Å1.79Å
C2C3sing1.53Å1.50Å
C2C1sing1.53Å1.52Å
C5O23sing1.36Å1.38Å
O19S20doub1.42Å1.43Å
S20C1sing1.81Å1.78Å
S20O21doub1.42Å1.45Å
O23C6sing1.43Å1.42Å
C17H1sing1.09Å1.10Å
C17H2sing1.09Å1.10Å
C16H3sing1.09Å1.10Å
C16H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
N56H11sing0.97Å1.00Å
N56H12sing0.97Å1.00Å
C6H13sing1.09Å1.10Å
C6H14sing1.09Å1.10Å
C6H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C1H17sing1.09Å1.10Å
C2H18sing1.09Å1.10Å
C2H19sing1.09Å1.10Å
C3H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
O22H22sing0.97Å0.95Å
N29H23sing1.01Å1.00Å
C11H24sing1.09Å1.10Å
C18H25sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
C13H27sing1.09Å1.10Å
C13H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C14C15117.5°109.5°
C14C13C12118.9°109.5°
C13C14H7107.4°109.5°
C13C14H8107.4°109.5°
C14C13H27107.1°109.5°
C14C13H28107.1°109.5°
C14C15C16115.9°109.4°
C14C15H5107.9°109.5°
C14C15H6107.9°109.5°
C15C14H7107.4°109.4°
C15C14H8107.4°109.5°
O26S25O27120.0°123.2°
O26S25N56109.9°106.4°
O26S25C8110.0°106.4°
C13C12C11119.0°109.4°
C13C12H9107.0°109.4°
C13C12H10107.0°109.5°
C12C13H27107.1°109.4°
C12C13H28107.1°109.5°
C15C16C17115.2°109.5°
C15C16H3108.0°109.5°
C15C16H4108.0°109.5°
C16C15H5107.9°109.5°
C16C15H6107.9°109.5°
C16C17C18118.5°109.5°
C16C17H1107.2°109.5°
C16C17H2107.2°109.5°
C17C16H3108.0°109.5°
C17C16H4108.0°109.5°
C17C18C11116.2°109.4°
C18C17H1107.2°109.5°
C18C17H2107.2°109.4°
C17C18H25107.8°109.5°
C17C18H26107.8°109.5°
C18C11C12117.0°109.4°
C18C11N29104.3°109.4°
C18C11H24108.9°109.4°
C11C18H25107.7°109.5°
C11C18H26107.8°109.5°
F28C9C8118.5°120.0°
F28C9C10118.2°120.0°
O27S25N56104.8°106.4°
O27S25C8104.0°106.4°
N56S25C8107.4°107.2°
S25N56H11109.5°120.1°
S25N56H12109.5°119.9°
S25C8C9118.2°119.9°
S25C8C7123.4°120.0°
C12C11N29107.5°109.5°
C11C12H9107.0°109.5°
C11C12H10107.0°109.5°
C12C11H24108.8°109.5°
C11N29C10126.1°111.0°
C11N29H23105.2°110.9°
N29C11H24110.0°109.5°
C8C9C10123.3°120.0°
C9C8C7118.2°120.1°
C9C10N29121.3°120.0°
C9C10C4116.9°120.0°
C8C7F24121.0°120.0°
C8C7C5121.1°120.1°
N29C10C4121.7°120.0°
C10N29H23105.1°111.0°
C10C4C5119.9°119.9°
C10C4S20122.9°120.0°
O22C3C2105.2°109.5°
O22C3H20110.5°109.4°
O22C3H21110.5°109.5°
C3O22H22109.5°114.0°
F24C7C5117.9°119.9°
C7C5C4120.5°119.9°
C7C5O23119.4°120.1°
C5C4S20117.1°120.0°
C4C5O23120.0°120.0°
C4S20O19110.6°104.3°
C4S20C1107.4°104.5°
C4S20O21106.4°104.3°
C3C2C1112.9°109.4°
C3C2H18108.6°109.5°
C3C2H19108.6°109.5°
C2C3H20110.5°109.5°
C2C3H21110.5°109.5°
C2C1S20110.3°109.5°
C2C1H16109.3°109.5°
C2C1H17109.3°109.5°
C1C2H18108.6°109.5°
C1C2H19108.6°109.4°
C5O23C6116.2°117.0°
O19S20C1107.5°110.5°
O19S20O21116.6°121.0°
C1S20O21108.0°110.5°
S20C1H16109.3°109.4°
S20C1H17109.3°109.5°
O23C6H13109.5°109.5°
O23C6H14109.5°109.5°
O23C6H15109.4°109.5°
H1C17H2109.4°109.4°
H3C16H4109.5°109.5°
H5C15H6109.4°109.5°
H7C14H8109.5°109.5°
H9C12H10109.5°109.5°
H11N56H12109.5°120.0°
H13C6H14109.5°109.4°
H13C6H15109.5°109.5°
H14C6H15109.5°109.5°
H16C1H17109.5°109.5°
H18C2H19109.5°109.5°
H20C3H21109.5°109.4°
H25C18H26109.4°109.5°
H27C13H28109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C14C15H7121.2°120.0°
C13C14C15H8121.1°120.0°
C14C13C12H27121.4°120.0°
C14C13C12H28121.4°120.1°
C13C14C15C1695.8°75.9°
C14C13C12C1170.3°44.0°
C13C14C15H525.2°164.1°
C13C14C15H6143.3°44.1°
C13C14H7H8116.4°120.1°
C14C13C12H9168.3°164.0°
C14C13C12H1051.0°76.0°
C14C13H27H28115.8°120.0°
C15C14C13C1235.0°112.9°
C14C15C16H5121.0°120.0°
C14C15C16H6121.0°120.0°
C14C15C16C1773.9°75.9°
C14C15C16H3165.3°44.1°
C14C15C16H446.9°164.1°
C14C15H5H6117.1°120.0°
C15C14H7H8116.3°120.0°
C15C14C13H27156.3°127.1°
C15C14C13H2886.4°7.1°
O26S25O27N56124.0°123.0°
O26S25O27C8123.4°123.0°
O26S25N56C8119.6°113.5°
O26S25C8C977.9°156.5°
O26S25C8C7107.2°23.5°
O26S25N56H11180.0°113.5°
O26S25N56H1260.0°66.5°
C13C12C11C1869.5°76.0°
C13C12C11H9121.3°120.0°
C13C12C11H10121.4°120.0°
C13C12C11N29173.6°164.1°
C12C13C14H7156.1°7.0°
C12C13C14H886.1°127.1°
C13C12H9H10115.7°120.0°
C13C12C11H2454.5°44.0°
C12C13H27H28115.7°120.0°
C15C16C17H3120.8°120.0°
C15C16C17H4120.8°120.0°
C15C16C17C1877.5°112.9°
C15C16C17H143.9°7.1°
C15C16C17H2161.3°127.1°
C15C16H3H4117.4°120.0°
C16C15H5H6117.1°120.0°
C16C15C14H7143.0°44.0°
C16C15C14H825.3°164.1°
C16C17C18H1121.3°120.0°
C16C17C18H2121.3°120.0°
C16C17C18C1198.4°44.0°
C16C17H1H2115.9°120.0°
C17C16H3H4117.4°120.0°
C17C16C15H547.0°164.1°
C17C16C15H6165.1°44.0°
C16C17C18H25140.7°164.0°
C16C17C18H2622.6°76.0°
C17C18C11H25121.0°120.0°
C17C18C11H26121.0°120.0°
C17C18C11C1233.8°76.0°
C17C18C11N2984.8°164.1°
C18C17H1H2115.9°119.9°
C18C17C16H3161.7°7.1°
C18C17C16H443.4°127.0°
C17C18C11H24157.7°44.0°
C17C18H25H26116.9°120.0°
C18C11C12N29116.9°119.9°
C18C11C12H24124.0°120.0°
C18C11N29H24116.7°120.0°
C18C11N29C1064.8°84.6°
C11C18C17H122.9°76.0°
C11C18C17H2140.3°164.0°
C18C11C12H9169.2°44.0°
C18C11C12H1051.9°164.1°
C18C11N29H23173.0°151.5°
C11C18H25H26116.9°120.0°
F28C9C8S254.4°0.0°
F28C9C8C10179.2°180.0°
F28C9C8C7179.6°180.0°
F28C9C10N291.4°0.3°
F28C9C10C4179.7°180.0°
O27S25N56C8110.2°113.5°
O27S25C8C951.8°23.5°
O27S25C8C7123.1°156.5°
O27S25N56H1149.8°113.5°
O27S25N56H12169.8°66.5°
N56S25C8C9162.5°90.0°
N56S25C8C712.4°90.0°
S25N56H11H12120.0°180.0°
S25C8C9C7175.2°180.0°
S25C8C9C10176.4°180.0°
S25C8C7F244.3°0.1°
S25C8C7C5174.9°180.0°
C8S25N56H1160.4°0.0°
C8S25N56H1259.6°180.0°
C12C11N29H24118.4°120.1°
C12C11N29C10170.3°155.5°
C11C12H9H10115.7°120.1°
C12C11N29H2348.1°31.6°
C12C11C18H25154.8°44.0°
C12C11C18H2687.2°164.0°
C11C12C13H2751.0°164.0°
C11C12C13H28168.3°76.0°
C11N29C10C933.2°87.4°
C11N29C10H23122.2°123.9°
C11N29C10C4148.7°92.3°
N29C11C12H952.3°75.9°
N29C11C12H1065.0°44.1°
N29C11C18H2536.1°75.9°
N29C11C18H26154.2°44.1°
C8C9C10N29179.3°179.8°
C8C9C10C41.1°0.0°
C9C8C7F24179.2°179.9°
C9C8C7C50.0°0.0°
C10C9C8C71.2°0.0°
C9C10N29C4178.2°179.7°
C9C10C4C50.1°0.0°
C9C10C4S20178.6°180.0°
C9C10N29H2389.1°148.7°
C8C7F24C5179.2°180.0°
C8C7C5C41.2°0.0°
C8C7C5O23177.5°180.0°
N29C10C4C5178.1°179.8°
N29C10C4S200.3°0.2°
C10N29C11H2451.9°35.4°
C10C4C5C71.2°0.0°
C10C4C5S20178.5°180.0°
C10C4C5O23177.5°180.0°
C10C4S20O191.0°38.2°
C10C4S20C1118.0°77.9°
C10C4S20O21126.5°166.0°
C4C10N29H2389.1°31.6°
O22C3C2H20119.3°120.0°
O22C3C2H21119.3°120.0°
O22C3C2C1170.2°180.0°
O22C3C2H1869.2°60.0°
O22C3C2H1949.7°60.1°
O22C3H20H21122.0°120.0°
F24C7C5C4179.6°179.9°
F24C7C5O233.4°0.0°
C7C5C4O23176.2°180.0°
C7C5C4S20179.8°180.0°
C7C5O23C668.9°89.9°
C5C4S20O19179.5°141.8°
C5C4S20C163.5°102.1°
C5C4S20O2152.0°14.0°
C4C5O23C6114.8°90.0°
C4S20C1C264.7°180.0°
S20C4C5O234.0°0.0°
C4S20O19C1117.0°111.8°
C4S20O19O21121.7°116.7°
C4S20C1O21114.4°111.6°
C4S20C1H16175.1°60.0°
C4S20C1H1755.4°60.0°
C3C2C1H18120.5°120.0°
C3C2C1H19120.5°119.9°
C3C2C1S20174.0°180.0°
C3C2C1H1653.8°60.0°
C3C2C1H1765.9°60.0°
C3C2H18H19118.4°120.0°
C2C3H20H21122.0°120.0°
C2C3O22H22180.0°180.0°
C2C1S20O1954.3°68.4°
C2C1S20H16120.1°120.0°
C2C1S20H17120.1°120.0°
C2C1S20O21179.1°68.4°
C2C1H16H17119.6°120.0°
C1C2H18H19118.5°120.0°
C1C2C3H2051.0°60.0°
C1C2C3H2170.5°60.0°
C5O23C6H13180.0°179.9°
C5O23C6H1460.0°60.0°
C5O23C6H1560.0°60.1°
O19S20C1O21126.6°136.8°
O19S20C1H1665.8°51.6°
O19S20C1H17174.5°171.6°
S20C1H16H17119.6°120.0°
S20C1C2H1865.6°60.0°
S20C1C2H1953.4°60.0°
O21S20C1H1660.8°171.6°
O21S20C1H1759.0°51.6°
O23C6H13H14120.0°120.0°
O23C6H13H15119.9°120.0°
O23C6H14H15119.9°120.1°
H1C17C16H377.0°127.1°
H1C17C16H4164.7°113.0°
H1C17C18H2598.1°44.0°
H1C17C18H26143.9°164.0°
H2C17C16H340.4°112.9°
H2C17C16H477.9°7.0°
H2C17C18H2519.4°76.0°
H2C17C18H2698.7°44.0°
H3C16C15H573.8°75.9°
H3C16C15H644.3°164.0°
H4C16C15H5167.9°44.1°
H4C16C15H674.0°76.0°
H5C15C14H796.0°76.0°
H5C15C14H8146.3°44.1°
H6C15C14H722.1°164.0°
H6C15C14H895.6°75.9°
H7C14C13H2782.5°113.0°
H7C14C13H2834.8°127.0°
H8C14C13H2735.2°7.1°
H8C14C13H28152.5°112.9°
H9C12C11H2466.9°164.0°
H9C12C13H2770.3°76.0°
H9C12C13H2847.0°44.0°
H10C12C11H24175.8°76.0°
H10C12C13H27172.4°44.0°
H10C12C13H2870.3°164.0°
H13C6H14H15120.0°120.0°
H16C1C2H18174.3°180.0°
H16C1C2H1966.7°59.9°
H17C1C2H1854.6°60.0°
H17C1C2H19173.5°180.0°
H18C2C3H20171.5°180.0°
H18C2C3H2150.1°60.0°
H19C2C3H2069.6°59.9°
H19C2C3H21169.0°179.9°
H20C3O22H2260.7°60.0°
H21C3O22H2260.7°59.9°
H23N29C11H2470.3°88.5°
H24C11C18H2581.3°164.0°
H24C11C18H2636.7°76.0°

248335

PDB entries from 2026-01-28

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