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K4M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N2sing1.46Å1.45Å
O28B26sing1.42Å1.54Å
O27B26sing1.42Å1.53Å
B26C25sing1.57Å1.50Å
N2C3sing1.35Å1.33Å
O4C3doub1.22Å1.22Å
C3C5sing1.47Å1.49Å
C25C24doub1.40Å1.40ÅAromatic
C25C29sing1.40Å1.39ÅAromatic
C16C15sing1.53Å1.53Å
C16C14sing1.53Å1.53Å
C24C23sing1.38Å1.39ÅAromatic
C15C14sing1.53Å1.53Å
F30C29sing1.35Å1.34Å
C29C31doub1.38Å1.39ÅAromatic
C12C13doub1.39Å1.38ÅAromatic
C12C11sing1.37Å1.40ÅAromatic
C5C13sing1.48Å1.49ÅAromatic
C5C6doub1.39Å1.49ÅAromatic
C14C11sing1.51Å1.49Å
C23C22doub1.40Å1.39ÅAromatic
C33C34doub1.38Å1.38ÅAromatic
C33C32sing1.40Å1.39ÅAromatic
C13C8sing1.40Å1.37ÅAromatic
C34C35sing1.39Å1.39ÅAromatic
C11C10doub1.39Å1.41ÅAromatic
C31C22sing1.40Å1.39ÅAromatic
C6C32sing1.47Å1.48Å
C6O7sing1.34Å1.37ÅAromatic
C32C38doub1.40Å1.39ÅAromatic
C35F36sing1.35Å1.34Å
C35C37doub1.39Å1.40ÅAromatic
C22C21sing1.48Å1.49Å
C8O7sing1.35Å1.32ÅAromatic
C8C9doub1.39Å1.39ÅAromatic
C38C37sing1.38Å1.40ÅAromatic
C10C9sing1.39Å1.41ÅAromatic
C10N17sing1.40Å1.35Å
C21N17sing1.36Å1.33ÅAromatic
C21N20doub1.32Å1.35ÅAromatic
N17N18sing1.40Å1.39ÅAromatic
N20C19sing1.33Å1.35ÅAromatic
N18C19doub1.31Å1.35ÅAromatic
C31H1sing1.08Å1.08Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
C9H5sing1.08Å1.08Å
C14H6sing1.09Å1.10Å
C12H7sing1.08Å1.08Å
C24H8sing1.08Å1.08Å
C15H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
O27H11sing0.97Å0.95Å
O28H12sing0.97Å0.95Å
C23H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
C16H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
N2H17sing0.97Å1.00Å
C33H18sing1.08Å1.08Å
C34H19sing1.08Å1.08Å
C38H20sing1.08Å1.08Å
C37H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N2C3123.0°120.0°
N2C1H2109.5°109.4°
N2C1H3109.5°109.5°
N2C1H4109.5°109.4°
C1N2H17118.5°120.1°
O28B26O27118.4°120.0°
O28B26C25117.9°120.0°
B26O28H12109.5°114.0°
O27B26C25118.2°120.0°
B26O27H11109.5°114.0°
B26C25C24121.6°120.0°
B26C25C29118.5°120.0°
N2C3O4121.9°120.0°
N2C3C5119.1°120.0°
C3N2H17118.5°120.0°
O4C3C5118.9°120.0°
C3C5C13123.4°127.2°
C3C5C6128.9°127.2°
C24C25C29120.0°120.0°
C25C24C23120.4°120.1°
C25C24H8119.8°120.0°
C25C29F30120.3°120.0°
C25C29C31119.6°120.0°
C15C16C1460.2°60.0°
C16C15C1459.9°60.0°
C16C15H9120.0°117.5°
C16C15H10120.0°117.5°
C15C16H15120.0°117.5°
C15C16H16120.0°117.5°
C16C14C1559.9°60.1°
C16C14C11116.7°117.5°
C16C14H6116.0°117.5°
C14C16H15120.0°117.5°
C14C16H16119.9°117.5°
C24C23C22119.3°120.0°
C23C24H8119.8°120.0°
C24C23H13120.4°120.0°
C15C14C11119.8°117.5°
C15C14H6115.8°117.5°
C14C15H9120.1°117.5°
C14C15H10120.0°117.5°
F30C29C31120.1°120.1°
C29C31C22120.7°119.9°
C29C31H1119.7°120.0°
C13C12C11119.2°119.9°
C12C13C5137.0°134.0°
C12C13C8120.6°120.4°
C13C12H7120.4°120.1°
C12C11C14120.8°119.9°
C12C11C10121.8°120.2°
C11C12H7120.4°120.1°
C13C5C6107.7°105.6°
C5C13C8102.4°105.6°
C5C6C32130.1°125.4°
C5C6O7103.3°109.2°
C14C11C10117.5°119.9°
C11C14H6116.5°115.5°
C23C22C31120.0°120.1°
C23C22C21125.2°119.9°
C22C23H13120.3°120.0°
C34C33C32120.5°119.8°
C33C34C35119.7°120.2°
C34C33H18119.7°120.1°
C33C34H19120.2°120.0°
C33C32C6118.6°120.1°
C33C32C38120.2°119.8°
C32C33H18119.8°120.1°
C13C8O7114.4°108.1°
C13C8C9120.1°119.2°
C34C35F36118.1°119.9°
C34C35C37120.4°120.3°
C35C34H19120.1°119.9°
C11C10C9116.3°120.5°
C11C10N17126.2°119.7°
C31C22C21114.7°120.0°
C22C31H1119.6°120.0°
C32C6O7126.5°125.4°
C6C32C38121.0°120.1°
C6O7C8112.2°111.5°
C32C38C37119.4°119.8°
C32C38H20120.3°120.1°
F36C35C37121.5°119.9°
C35C37C38119.8°120.1°
C35C37H21120.1°120.0°
C22C21N17129.9°126.2°
C22C21N20125.5°126.2°
O7C8C9125.5°132.7°
C8C9C10121.9°119.8°
C8C9H5119.0°120.1°
C37C38H20120.3°120.1°
C38C37H21120.1°119.9°
C9C10N17117.4°119.7°
C10C9H5119.1°120.1°
C10N17C21128.3°126.9°
C10N17N18118.6°126.9°
N17C21N20104.2°107.7°
C21N17N18112.8°106.1°
C21N20C19110.2°109.8°
N17N18C19103.3°107.0°
N20C19N18109.3°109.4°
N20C19H14125.4°125.3°
N18C19H14125.4°125.3°
H2C1H3109.4°109.5°
H2C1H4109.5°109.4°
H3C1H4109.4°109.5°
H9C15H10109.4°115.6°
H15C16H16109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N2C3H17180.0°179.9°
C1N2C3O40.9°0.0°
C1N2C3C5178.8°180.0°
N2C1H2H3120.0°120.1°
N2C1H2H4120.0°119.9°
N2C1H3H4120.0°120.0°
O28B26O27C25153.5°179.9°
O28B26C25C24113.3°180.0°
O28B26C25C2966.5°0.1°
O28B26O27H11180.0°0.0°
O27B26C25C2493.1°0.1°
O27B26C25C2987.1°180.0°
O27B26O28H12180.0°0.1°
B26C25C24C29179.8°179.9°
B26C25C24C23179.7°179.4°
B26C25C29F300.1°0.3°
B26C25C29C31179.6°179.9°
B26C25C24H80.2°0.2°
C25B26O27H1126.5°179.9°
C25B26O28H1226.5°180.0°
N2C3O4C5177.9°180.0°
N2C3C5C13103.6°90.0°
N2C3C5C675.9°90.3°
C3N2C1H2180.0°180.0°
C3N2C1H360.0°60.0°
C3N2C1H460.0°60.1°
O4C3C5C1378.4°90.0°
O4C3C5C6102.1°89.7°
O4C3N2H17179.1°179.9°
C3C5C13C120.2°0.3°
C3C5C13C6179.6°179.7°
C3C5C13C8179.8°179.7°
C3C5C6C323.2°0.3°
C3C5C6O7179.6°179.7°
C5C3N2H171.2°0.0°
C25C24C23H8180.0°179.2°
C24C25C29F30179.9°179.7°
C24C25C29C310.2°0.0°
C25C24C23C220.5°0.8°
C25C24C23H13179.5°179.2°
C29C25C24C230.1°0.5°
C25C29F30C31179.8°179.8°
C25C29C31C220.7°0.2°
C25C29C31H1179.3°179.7°
C29C25C24H8180.0°179.7°
C15C16C14H15109.5°107.4°
C15C16C14H16109.6°107.5°
C16C15C14H9109.4°107.5°
C16C15C14H10109.4°107.5°
C15C16C14C11110.6°107.5°
C15C16C14H6106.2°107.6°
C16C15H9H10144.8°145.7°
C15C16H15H16144.6°145.6°
C16C14C11C1247.1°3.4°
C16C14C11H6143.0°145.6°
C16C14C11C10132.9°176.7°
C14C16H15H16144.6°145.8°
C24C23C22H13180.0°180.0°
C24C23C22C311.1°0.5°
C24C23C22C21178.1°179.5°
C15C14C11C1221.9°65.3°
C15C14C11H6148.0°145.7°
C15C14C11C10158.1°114.6°
C14C15H9H10144.8°145.7°
F30C29C31C22179.5°180.0°
F30C29C31H10.5°0.0°
C29C31C22C231.2°0.0°
C29C31C22H1180.0°179.9°
C29C31C22C21178.5°180.0°
C13C12C11H7180.0°179.9°
C12C13C5C8179.6°180.0°
C12C13C5C6179.8°180.0°
C13C12C11C14179.7°180.0°
C13C12C11C100.3°0.1°
C12C13C8O7179.8°180.0°
C12C13C8C90.3°0.0°
C11C12C13C5179.7°180.0°
C12C11C14C10180.0°179.9°
C11C12C13C80.2°0.0°
C12C11C10C90.6°0.1°
C12C11C10N17179.5°180.0°
C12C11C14H6169.8°148.9°
C13C5C6C32177.2°180.0°
C13C5C6O70.9°0.0°
C5C13C8O70.2°0.0°
C5C13C8C9180.0°180.0°
C5C13C12H70.3°0.1°
C5C6C32C3324.4°0.3°
C6C5C13C80.6°0.0°
C5C6C32O7175.6°180.0°
C5C6C32C38160.2°180.0°
C5C6O7C80.8°0.0°
C14C11C10C9179.4°180.0°
C14C11C10N170.6°0.1°
C14C11C12H70.2°0.1°
C11C14C15H9145.1°0.0°
C11C14C15H104.0°145.0°
C11C14C16H151.1°145.0°
C11C14C16H16139.9°0.1°
C23C22C31C21177.3°180.0°
C23C22C21N1754.9°30.2°
C23C22C21N20133.9°150.2°
C23C22C31H1178.8°180.0°
C22C23C24H8179.5°180.0°
C34C33C32H18180.0°179.9°
C33C34C35H19180.0°179.9°
C34C33C32C6178.2°180.0°
C34C33C32C382.8°0.2°
C33C34C35F36179.8°180.0°
C33C34C35C370.0°0.4°
C32C33C34C351.5°0.1°
C33C32C6C38175.3°179.7°
C33C32C6O7151.1°179.8°
C33C32C38C372.6°0.3°
C32C33C34H19178.5°180.0°
C33C32C38H20177.4°179.7°
C13C8O7C60.4°0.0°
C13C8O7C9179.9°180.0°
C13C8C9C100.1°0.0°
C13C8C9H5180.0°180.0°
C8C13C12H7179.8°180.0°
C34C35F36C37179.8°179.6°
C34C35C37C380.2°0.3°
C35C34C33H18178.5°180.0°
C34C35C37H21179.9°179.7°
C11C10C9C80.5°0.1°
C11C10C9N17179.0°179.9°
C11C10N17C2155.1°126.3°
C11C10N17N18130.7°53.7°
C11C10C9H5179.5°180.0°
C10C11C14H610.2°31.1°
C10C11C12H7179.7°180.0°
C31C22C21N17122.3°149.8°
C31C22C21N2049.0°29.8°
C31C22C23H13178.9°179.5°
C32C6O7C8177.3°180.0°
C6C32C38C37177.9°180.0°
C6C32C33H181.8°0.0°
C6C32C38H202.1°0.0°
O7C6C32C3824.2°0.0°
C6O7C8C9179.4°180.0°
C32C38C37C351.2°0.0°
C32C38C37H20180.0°180.0°
C38C32C33H18177.2°179.7°
C32C38C37H21178.8°180.0°
F36C35C37C38180.0°180.0°
F36C35C34H190.2°0.1°
F36C35C37H210.1°0.0°
C35C37C38H21180.0°180.0°
C37C35C34H19180.0°179.8°
C35C37C38H20178.8°180.0°
C22C21N17C109.0°0.3°
C22C21N17N20172.7°179.7°
C22C21N17N18176.5°179.7°
C22C21N20C19176.4°179.7°
C21C22C31H11.5°0.0°
C21C22C23H131.9°0.5°
O7C8C9C10179.8°179.9°
O7C8C9H50.2°0.0°
C8C9C10H5180.0°179.9°
C8C9C10N17179.5°180.0°
C9C10N17C21126.1°53.8°
C9C10N17N1848.1°126.2°
C10N17C21N18174.5°180.0°
C10N17C21N20178.4°180.0°
C10N17N18C19178.0°180.0°
N17C10C9H50.6°0.1°
N17C21N20C193.3°0.0°
C21N17N18C193.0°0.0°
N20C21N17N183.9°0.0°
C21N20C19N181.6°0.0°
C21N20C19H14178.4°179.9°
N17N18C19N200.7°0.0°
N17N18C19H14179.3°179.9°
N20C19N18H14180.0°179.9°
H2C1H3H4120.0°120.0°
H2C1N2H170.0°0.1°
H3C1N2H17120.0°120.0°
H4C1N2H17120.0°120.0°
H6C14C15H93.1°145.0°
H6C14C15H10144.2°0.0°
H6C14C16H15144.3°0.1°
H6C14C16H163.4°145.0°
H8C24C23H130.5°0.0°
H9C15C16H15141.0°145.0°
H9C15C16H160.0°0.1°
H10C15C16H150.1°0.0°
H10C15C16H16141.1°145.0°
H18C33C34H191.5°0.1°
H20C38C37H211.2°0.0°

222415

PDB entries from 2024-07-10

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