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B3O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18C17doub1.38Å1.38ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C17C16sing1.38Å1.40ÅAromatic
C19C20doub1.38Å1.41ÅAromatic
C16C15doub1.39Å1.40ÅAromatic
C20C15sing1.39Å1.41ÅAromatic
C15C12sing1.48Å1.50Å
C12C13doub1.36Å1.38Å
C12C11sing1.41Å1.45Å
O1C11doub1.21Å1.24Å
C13N1sing1.36Å1.38Å
C11C10sing1.50Å1.54Å
C22C8sing1.53Å1.49Å
N1C14sing1.34Å1.39Å
C8C7sing1.53Å1.52Å
C8C9sing1.53Å1.51Å
C10C14sing1.50Å1.54Å
C10C9sing1.53Å1.57Å
C10C1sing1.53Å1.62Å
C14O2doub1.21Å1.23Å
C7C6sing1.53Å1.53Å
C9C4sing1.53Å1.56Å
C1C21sing1.53Å1.53Å
C1C2sing1.50Å1.48Å
C6C5sing1.53Å1.50Å
C4C5sing1.53Å1.53Å
C4C3sing1.50Å1.50Å
C2C3doub1.30Å1.31Å
C1H1sing1.09Å1.10Å
C2H2sing1.08Å1.08Å
C3H4sing1.08Å1.08Å
C4H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C9H14sing1.09Å1.10Å
C13H16sing1.08Å1.08Å
C16H17sing1.08Å1.08Å
C17H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C20H21sing1.08Å1.08Å
C21H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
C22H27sing1.09Å1.10Å
N1H15sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17C18C19123.4°120.2°
C18C17C16118.2°120.1°
C18C17H18120.9°119.9°
C17C18H19118.3°119.9°
C18C19C20119.5°120.2°
C19C18H19118.3°119.9°
C18C19H20120.2°119.9°
C17C16C15118.9°119.9°
C17C16H17120.5°120.1°
C16C17H18120.9°120.0°
C19C20C15117.1°119.8°
C20C19H20120.2°120.0°
C19C20H21121.4°120.1°
C16C15C20122.8°119.8°
C16C15C12120.8°120.1°
C15C16H17120.5°120.0°
C20C15C12116.4°120.1°
C15C20H21121.5°120.1°
C15C12C13120.8°119.6°
C15C12C11117.7°119.6°
C13C12C11121.3°120.8°
C12C13N1122.0°121.0°
C12C13H16119.0°119.5°
C12C11O1121.6°119.3°
C12C11C10116.7°121.4°
O1C11C10121.7°119.2°
C13N1C14123.5°122.6°
N1C13H16119.0°119.5°
C13N1H15118.3°118.7°
C11C10C14114.4°111.1°
C11C10C9111.1°109.5°
C11C10C1101.4°109.3°
C22C8C7106.2°109.6°
C22C8C9110.5°109.6°
C22C8H13110.5°109.7°
C8C22H25109.5°109.5°
C8C22H26109.4°109.5°
C8C22H27109.4°109.4°
N1C14C10116.5°123.1°
N1C14O2121.0°118.4°
C14N1H15118.3°118.7°
C7C8C9109.2°108.8°
C8C7C6112.9°110.0°
C8C7H11108.6°109.4°
C8C7H12108.6°109.3°
C7C8H13110.1°109.6°
C8C9C10115.6°111.1°
C8C9C4109.6°109.0°
C9C8H13110.2°109.6°
C8C9H14107.3°109.4°
C14C10C9110.1°109.6°
C14C10C1109.5°109.5°
C10C14O2122.5°118.5°
C9C10C1110.0°107.8°
C10C9C4110.6°108.2°
C10C9H14106.5°109.5°
C10C1C21120.1°109.2°
C10C1C2108.3°110.8°
C10C1H1105.0°109.2°
C7C6C5111.2°110.1°
C7C6H9109.0°109.4°
C7C6H10109.0°109.3°
C6C7H11108.6°109.3°
C6C7H12108.6°109.4°
C9C4C5112.4°109.1°
C9C4C3107.3°109.8°
C9C4H6109.9°108.2°
C4C9H14106.7°109.5°
C21C1C2110.1°109.2°
C21C1H1105.9°109.3°
C1C21H22109.5°109.5°
C1C21H23109.5°109.4°
C1C21H24109.4°109.5°
C1C2C3114.5°124.6°
C2C1H1106.4°109.2°
C1C2H2122.7°117.7°
C6C5C4113.3°108.8°
C6C5H7108.5°109.6°
C6C5H8108.5°109.7°
C5C6H9109.0°109.3°
C5C6H10109.1°109.4°
C5C4C3106.4°111.9°
C5C4H6110.2°108.9°
C4C5H7108.5°109.6°
C4C5H8108.5°109.6°
C4C3C2119.6°123.0°
C4C3H4120.2°118.5°
C3C4H6110.6°108.9°
C3C2H2122.7°117.7°
C2C3H4120.2°118.5°
H7C5H8109.5°109.6°
H9C6H10109.5°109.4°
H11C7H12109.4°109.4°
H22C21H23109.5°109.5°
H22C21H24109.5°109.5°
H23C21H24109.5°109.5°
H25C22H26109.5°109.5°
H25C22H27109.5°109.5°
H26C22H27109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17C18C19H19180.0°179.9°
C18C17C16H18180.0°179.9°
C17C18C19C200.3°0.3°
C18C17C16C150.5°0.0°
C18C17C16H17179.5°180.0°
C17C18C19H20179.7°180.0°
C19C18C17C160.4°0.0°
C18C19C20H20180.0°179.7°
C18C19C20C150.9°0.6°
C19C18C17H18179.6°179.9°
C18C19C20H21179.2°180.0°
C17C16C15H17180.0°180.0°
C17C16C15C200.1°0.2°
C17C16C15C12179.3°180.0°
C16C17C18H19179.6°179.9°
C19C20C15C160.8°0.5°
C19C20C15H21180.0°179.5°
C19C20C15C12178.6°179.7°
C20C19C18H19179.7°179.8°
C16C15C20C12179.3°179.8°
C16C15C12C13123.4°65.0°
C16C15C12C1150.9°115.0°
C15C16C17H18179.5°179.9°
C16C15C20H21179.3°180.0°
C20C15C12C1356.0°115.3°
C20C15C12C11129.7°64.8°
C20C15C16H17179.9°179.8°
C15C20C19H20179.1°179.8°
C15C12C13C11174.1°180.0°
C15C12C11O19.4°0.0°
C15C12C13N1176.8°180.0°
C15C12C11C10173.4°179.9°
C15C12C13H163.2°0.0°
C12C15C16H170.7°0.0°
C12C15C20H211.4°0.3°
C13C12C11O1164.8°180.0°
C12C13N1H16180.0°180.0°
C13C12C11C1012.3°0.1°
C12C13N1C146.6°0.1°
C12C13N1H15173.3°180.0°
C12C11O1C10177.0°179.8°
C11C12C13N12.8°0.0°
C12C11C10C1423.9°0.2°
C12C11C10C9149.3°121.0°
C12C11C10C193.9°121.1°
C11C12C13H16177.2°180.0°
O1C11C10C14153.3°180.0°
O1C11C10C927.9°58.8°
O1C11C10C189.0°59.1°
C13N1C14H15180.0°179.9°
C13N1C14C1019.4°0.0°
C13N1C14O2159.5°179.9°
C11C10C14N127.2°0.1°
C11C10C9C839.9°68.8°
C11C10C14C9125.9°121.1°
C11C10C14C1113.0°120.8°
C11C10C9C1111.4°118.9°
C11C10C14O2151.7°179.8°
C11C10C9C485.4°50.9°
C11C10C1C2183.1°167.7°
C11C10C1C2149.2°71.9°
C11C10C1H135.8°48.3°
C11C10C9H14158.9°170.2°
C22C8C7C9119.2°119.8°
C22C8C7H13119.7°120.5°
C22C8C9H13122.4°120.5°
C22C8C9C1058.8°59.9°
C22C8C7C6179.3°179.1°
C22C8C9C4175.4°179.0°
C22C8C7H1160.2°59.0°
C22C8C7H1258.8°60.8°
C22C8C9H1459.9°61.2°
C8C22H25H26120.0°120.0°
C8C22H25H27120.0°120.0°
C8C22H26H27120.0°119.9°
N1C14C10O2178.9°179.9°
N1C14C10C9153.2°121.0°
N1C14C10C185.7°120.9°
C14N1C13H16173.4°179.9°
C7C8C9H13121.0°119.8°
C7C8C9C10175.3°179.7°
C8C7C6H11120.5°120.2°
C8C7C6H12120.5°120.1°
C7C8C9C458.9°61.2°
C8C7C6C554.4°58.8°
C8C7C6H965.9°178.9°
C8C7C6H10174.7°61.4°
C8C7H11H12118.4°119.7°
C7C8C9H1456.6°58.6°
C7C8C22H25180.0°39.6°
C7C8C22H2660.0°159.6°
C7C8C22H2760.0°80.4°
C8C9C10C1487.9°53.3°
C8C9C10C4125.3°119.6°
C8C9C10H14119.1°121.1°
C8C9C10C1151.3°172.4°
C9C8C7C660.1°59.3°
C8C9C4H14115.8°119.7°
C8C9C4C555.0°62.7°
C8C9C4C3171.6°174.3°
C8C9C4H668.1°55.6°
C9C8C7H11179.4°60.8°
C9C8C7H1260.4°179.4°
C9C8C22H2561.7°158.8°
C9C8C22H2658.3°81.1°
C9C8C22H27178.3°38.8°
C14C10C9C1120.8°119.1°
C14C10C9C4146.8°172.9°
C14C10C1C2138.1°45.9°
C14C10C1C289.6°166.2°
C14C10C1H1157.0°73.6°
C14C10C9H1431.2°67.8°
C10C14N1H15160.6°179.9°
C9C10C14O225.8°59.1°
C10C9C4H14115.5°119.3°
C9C10C1C21159.3°73.3°
C9C10C1C231.6°47.0°
C10C9C4C5176.3°176.3°
C10C9C4C359.7°53.3°
C9C10C1H181.8°167.3°
C10C9C4H660.5°65.4°
C10C9C8H1363.7°60.5°
C1C10C14O295.4°59.0°
C1C10C9C426.0°68.0°
C10C1C21C2126.8°121.3°
C10C1C21H1118.5°119.4°
C10C1C2H1112.5°120.2°
C10C1C2C364.0°14.6°
C10C1C2H2116.0°165.4°
C1C10C9H1489.6°51.3°
C10C1C21H22180.0°52.0°
C10C1C21H2360.0°68.0°
C10C1C21H2460.0°172.0°
O2C14N1H1520.5°0.1°
C7C6C5H9120.2°120.2°
C7C6C5H10120.2°120.1°
C7C6C5C448.9°59.3°
C7C6C5H7169.4°60.6°
C7C6C5H871.7°179.1°
C7C6H9H10119.2°119.6°
C6C7H11H12118.5°119.8°
C6C7C8H1361.0°60.4°
C9C4C5C650.2°61.2°
C9C4C5C3117.2°121.7°
C9C4C5H6122.9°117.9°
C9C4C3H6119.8°118.3°
C9C4C3C233.3°20.5°
C9C4C3H4146.7°159.5°
C9C4C5H7170.8°58.7°
C9C4C5H870.4°178.9°
C4C9C8H1362.2°58.6°
C21C1C2H1114.4°119.4°
C21C1C2C3162.9°105.7°
C21C1C2H217.1°74.2°
C1C21H22H23120.0°120.0°
C1C21H22H24120.0°120.1°
C1C21H23H24120.0°120.0°
C1C2C3C429.6°0.8°
C1C2C3H2180.0°180.0°
C1C2C3H4150.4°179.2°
C2C1C21H2253.2°69.4°
C2C1C21H2366.8°170.7°
C2C1C21H24173.2°50.7°
C6C5C4H7120.5°119.8°
C6C5C4H8120.6°119.9°
C6C5C4C3167.4°177.1°
C6C5C4H672.7°56.7°
C6C5H7H8118.3°120.4°
C5C6H9H10119.3°119.8°
C5C6C7H11174.9°61.4°
C5C6C7H1266.1°178.8°
C5C4C3H6119.6°120.4°
C5C4C3C2153.9°141.9°
C5C4C3H426.1°38.2°
C4C5H7H8118.2°120.3°
C4C5C6H971.4°179.4°
C4C5C6H10169.1°60.8°
C5C4C9H1460.8°57.0°
C4C3C2H4180.0°180.0°
C4C3C2H2150.4°179.2°
C3C4C5H772.1°63.1°
C3C4C5H846.8°57.2°
C3C4C9H1455.8°66.0°
C3C2C1H148.5°134.9°
C2C3C4H686.5°97.7°
H1C1C2H2131.5°45.1°
H1C1C21H2261.5°171.3°
H1C1C21H23178.5°51.3°
H1C1C21H2458.5°68.6°
H2C2C3H429.6°0.8°
H4C3C4H693.5°82.3°
H6C4C5H747.8°176.5°
H6C4C5H8166.7°63.2°
H6C4C9H14176.0°175.3°
H7C5C6H949.2°59.6°
H7C5C6H1070.4°179.3°
H8C5C6H9168.1°60.8°
H8C5C6H1048.5°59.0°
H9C6C7H1154.6°58.7°
H9C6C7H12173.6°61.1°
H10C6C7H1164.8°178.4°
H10C6C7H1254.1°58.6°
H11C7C8H1359.5°179.4°
H12C7C8H13178.4°59.7°
H13C8C9H14177.6°178.3°
H13C8C22H2560.6°80.8°
H13C8C22H26179.4°39.2°
H13C8C22H2759.4°159.2°
H16C13N1H156.7°0.0°
H17C16C17H180.5°0.1°
H18C17C18H190.4°0.0°
H19C18C19H200.3°0.1°
H20C19C20H210.8°0.3°
H22C21H23H24120.0°120.0°
H25C22H26H27120.0°120.0°

222624

PDB entries from 2024-07-17

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