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5B7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C35C36doub1.38Å1.38ÅAromatic
C35C34sing1.38Å1.40ÅAromatic
C36C37sing1.38Å1.42ÅAromatic
C34C33doub1.38Å1.38ÅAromatic
C37C38doub1.38Å1.38ÅAromatic
C33C38sing1.38Å1.39ÅAromatic
C42O41sing1.43Å1.43Å
O39C2sing1.36Å1.37Å
O39C40sing1.43Å1.41Å
C3C2doub1.39Å1.40ÅAromatic
C3C4sing1.38Å1.41ÅAromatic
C38C32sing1.51Å1.55Å
O9S8doub1.42Å1.47Å
C2C7sing1.39Å1.41ÅAromatic
C4C5doub1.38Å1.38ÅAromatic
C7C6doub1.38Å1.41ÅAromatic
C5C6sing1.38Å1.39ÅAromatic
C5S8sing1.76Å1.77Å
C32C19sing1.53Å1.55Å
S8O10doub1.42Å1.49Å
S8N11sing1.66Å1.66Å
O41C30sing1.43Å1.45Å
C30C29sing1.54Å1.53Å
C30C31sing1.54Å1.55Å
C19N20sing1.47Å1.47Å
C19C17sing1.53Å1.53Å
C29O28sing1.44Å1.43Å
N11C16sing1.47Å1.46Å
N11C12sing1.46Å1.45Å
C16C17sing1.53Å1.53Å
O22C21doub1.21Å1.24Å
N20C21sing1.35Å1.33Å
C21O23sing1.35Å1.37Å
C31C24sing1.51Å1.53Å
C31C27sing1.54Å1.50Å
C17O18sing1.43Å1.44Å
O23C24sing1.45Å1.43Å
C24C25sing1.53Å1.53Å
O28C27sing1.45Å1.43Å
C12C13sing1.53Å1.54Å
C27O26sing1.43Å1.43Å
C14C13sing1.53Å1.53Å
C13C15sing1.53Å1.54Å
C25C44sing1.53Å1.52Å
O26C44sing1.42Å1.43Å
C3H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C12H5sing1.09Å1.10Å
C12H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C14H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C15H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
O18H17sing0.97Å0.95Å
C19H18sing1.09Å1.10Å
N20H19sing0.97Å1.00Å
C24H20sing1.09Å1.10Å
C25H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C27H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
C30H26sing1.09Å1.10Å
C31H27sing1.09Å1.10Å
C32H28sing1.09Å1.10Å
C32H29sing1.09Å1.10Å
C33H30sing1.08Å1.08Å
C34H31sing1.08Å1.08Å
C35H32sing1.08Å1.08Å
C36H33sing1.08Å1.08Å
C37H34sing1.08Å1.08Å
C40H35sing1.09Å1.10Å
C40H36sing1.09Å1.10Å
C40H37sing1.09Å1.10Å
C42H38sing1.09Å1.10Å
C42H39sing1.09Å1.10Å
C42H40sing1.09Å1.10Å
C44H41sing1.09Å1.10Å
C44H42sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C36C35C34117.6°120.0°
C35C36C37121.0°120.0°
C36C35H32121.2°120.0°
C35C36H33119.5°120.0°
C35C34C33121.1°120.0°
C35C34H31119.5°120.0°
C34C35H32121.2°119.9°
C36C37C38119.9°120.0°
C37C36H33119.5°120.0°
C36C37H34120.1°120.0°
C34C33C38120.9°120.0°
C34C33H30119.5°120.0°
C33C34H31119.5°120.0°
C37C38C33119.0°120.0°
C37C38C32122.9°120.0°
C38C37H34120.0°120.0°
C33C38C32118.0°120.0°
C38C33H30119.6°120.0°
C42O41C30111.3°114.0°
O41C42H38109.5°109.5°
O41C42H39109.5°109.5°
O41C42H40109.5°109.5°
C2O39C40112.6°117.0°
O39C2C3116.3°120.1°
O39C2C7124.1°120.0°
O39C40H35109.5°109.4°
O39C40H36109.4°109.5°
O39C40H37109.5°109.4°
C2C3C4119.5°120.0°
C3C2C7119.7°119.9°
C2C3H1120.2°120.0°
C3C4C5120.7°120.0°
C4C3H1120.2°120.0°
C3C4H2119.7°120.0°
C38C32C19108.1°109.5°
C38C32H28109.8°109.5°
C38C32H29109.8°109.5°
O9S8C5107.3°106.4°
O9S8O10120.6°123.1°
O9S8N11107.6°106.4°
C2C7C6119.7°120.0°
C2C7H4120.2°120.1°
C4C5C6120.2°120.1°
C4C5S8119.9°119.9°
C5C4H2119.6°120.0°
C7C6C5120.1°120.0°
C7C6H3119.9°120.1°
C6C7H4120.1°120.0°
C6C5S8119.9°119.9°
C5C6H3119.9°119.9°
C5S8O10107.2°106.4°
C5S8N11108.0°107.2°
C32C19N20108.5°109.5°
C32C19C17112.8°109.5°
C32C19H18107.9°109.5°
C19C32H28109.8°109.5°
C19C32H29109.8°109.5°
O10S8N11105.6°106.4°
S8N11C16117.6°120.0°
S8N11C12116.7°120.0°
O41C30C29106.2°110.6°
O41C30C31107.8°110.6°
O41C30H26114.3°110.6°
C29C30C31102.4°103.6°
C30C29O28107.0°107.1°
C30C29H24110.1°109.9°
C30C29H25110.1°110.1°
C29C30H26112.8°110.7°
C30C31C24111.0°111.9°
C30C31C27100.9°102.6°
C31C30H26112.5°110.6°
C30C31H27109.5°109.8°
N20C19C17110.6°109.5°
C19N20C21125.9°120.0°
N20C19H18108.9°109.4°
C19N20H19117.0°120.0°
C19C17C16113.0°109.5°
C19C17O18108.7°109.5°
C19C17H16108.0°109.5°
C17C19H18108.1°109.5°
C29O28C27109.0°106.5°
O28C29H24110.1°109.9°
O28C29H25110.1°109.9°
C16N11C12114.6°120.0°
N11C16C17109.6°109.5°
N11C16H14109.5°109.5°
N11C16H15109.4°109.5°
N11C12C13114.5°109.5°
N11C12H5108.2°109.4°
N11C12H6108.2°109.4°
C16C17O18110.0°109.5°
C17C16H14109.4°109.4°
C17C16H15109.4°109.5°
C16C17H16107.9°109.4°
O22C21N20124.3°120.0°
O22C21O23122.7°120.0°
N20C21O23113.0°120.0°
C21N20H19117.1°120.1°
C21O23C24114.5°117.0°
C24C31C27115.1°112.5°
C31C24O23108.1°109.2°
C31C24C25109.2°110.8°
C31C24H20110.6°109.1°
C24C31H27109.8°109.9°
C31C27O28104.7°102.3°
C31C27O26117.6°110.6°
C31C27H23107.9°112.7°
C27C31H27110.2°109.9°
O18C17H16109.1°109.5°
C17O18H17109.5°114.0°
O23C24C25106.1°109.2°
O23C24H20112.1°109.3°
C24C25C44109.8°108.0°
C25C24H20110.6°109.2°
C24C25H21109.4°109.7°
C24C25H22109.4°109.8°
O28C27O26108.5°106.2°
O28C27H23108.9°112.3°
C12C13C14112.5°109.5°
C12C13C15109.9°109.4°
C13C12H5108.2°109.5°
C13C12H6108.2°109.5°
C12C13H7108.7°109.4°
C27O26C44113.3°115.9°
O26C27H23108.9°112.1°
C14C13C15108.3°109.5°
C14C13H7108.7°109.5°
C13C14H8109.5°109.4°
C13C14H9109.4°109.5°
C13C14H10109.5°109.5°
C15C13H7108.6°109.4°
C13C15H11109.5°109.5°
C13C15H12109.4°109.4°
C13C15H13109.5°109.4°
C25C44O26116.2°108.4°
C44C25H21109.4°109.7°
C44C25H22109.4°109.8°
C25C44H41107.8°109.6°
C25C44H42107.8°109.7°
O26C44H41107.8°109.6°
O26C44H42107.7°109.7°
H5C12H6109.5°109.5°
H8C14H9109.5°109.5°
H8C14H10109.5°109.5°
H9C14H10109.5°109.5°
H11C15H12109.5°109.5°
H11C15H13109.5°109.5°
H12C15H13109.5°109.5°
H14C16H15109.5°109.5°
H21C25H22109.5°109.8°
H24C29H25109.5°109.9°
H28C32H29109.5°109.5°
H35C40H36109.5°109.5°
H35C40H37109.4°109.4°
H36C40H37109.5°109.6°
H38C42H39109.5°109.5°
H38C42H40109.5°109.4°
H39C42H40109.5°109.5°
H41C44H42109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C36C35C34H32180.0°180.0°
C35C36C37H33180.0°180.0°
C36C35C34C338.7°0.0°
C35C36C37C383.5°0.0°
C36C35C34H31171.3°180.0°
C35C36C37H34176.5°180.0°
C34C35C36C378.0°0.0°
C35C34C33H31180.0°180.0°
C35C34C33C384.7°0.0°
C35C34C33H30175.3°179.8°
C34C35C36H33172.0°180.0°
C36C37C38H34180.0°180.0°
C36C37C38C330.7°0.0°
C36C37C38C32177.9°179.7°
C37C36C35H32172.0°180.0°
C34C33C38C370.1°0.1°
C34C33C38H30180.0°179.8°
C34C33C38C32178.6°179.7°
C33C34C35H32171.3°180.0°
C37C38C33C32178.7°179.7°
C37C38C32C1971.7°90.3°
C37C38C32H2848.0°149.7°
C37C38C32H29168.5°29.7°
C37C38C33H30179.9°179.8°
C38C37C36H33176.5°180.0°
C33C38C32C19106.9°90.0°
C33C38C32H28133.3°30.0°
C33C38C32H2912.9°150.0°
C38C33C34H31175.3°180.0°
C33C38C37H34179.3°180.0°
C42O41C30C2989.8°91.5°
C42O41C30C31161.1°154.3°
C42O41C30H2635.2°31.5°
O41C42H38H39120.0°120.1°
O41C42H38H40120.0°119.9°
O41C42H39H40120.0°120.0°
O39C2C3C7179.9°179.7°
O39C2C3C4179.9°179.7°
O39C2C7C6180.0°179.8°
O39C2C3H10.1°0.4°
O39C2C7H40.0°0.3°
C2O39C40H35180.0°60.1°
C2O39C40H3660.0°60.0°
C2O39C40H3760.0°180.0°
C40O39C2C3172.0°0.3°
C40O39C2C78.1°180.0°
O39C40H35H36120.0°120.0°
O39C40H35H37120.0°119.9°
O39C40H36H37120.0°120.0°
C2C3C4H1180.0°179.9°
C2C3C4C50.1°0.0°
C3C2C7C60.1°0.1°
C2C3C4H2179.9°180.0°
C3C2C7H4179.9°180.0°
C4C3C2C70.0°0.0°
C3C4C5H2180.0°180.0°
C3C4C5C60.2°0.0°
C3C4C5S8179.9°180.0°
C38C32C19H28119.8°120.0°
C38C32C19H29119.8°120.0°
C38C32C19N2061.1°65.0°
C38C32C19C17176.0°175.0°
C38C32C19H1856.7°55.0°
C38C32H28H29120.6°120.0°
C32C38C33H301.4°0.1°
C32C38C37H342.1°0.3°
O9S8C5C432.7°156.4°
O9S8C5C6147.2°23.5°
O9S8C5O10130.8°132.9°
O9S8C5N11115.7°113.6°
O9S8O10N11122.0°123.0°
O9S8N11C1628.0°23.6°
O9S8N11C12170.2°156.4°
C2C7C6H4180.0°180.0°
C2C7C6C50.1°0.1°
C7C2C3H1180.0°180.0°
C2C7C6H3180.0°180.0°
C4C5C6C70.1°0.1°
C4C5C6S8179.9°179.9°
C4C5S8O10163.6°23.5°
C4C5S8N1183.0°90.0°
C5C4C3H1179.8°179.9°
C4C5C6H3179.9°180.0°
C7C6C5H3180.0°180.0°
C7C6C5S8180.0°180.0°
C6C5S8O1016.3°156.4°
C6C5S8N1197.1°90.1°
C6C5C4H2179.8°180.0°
C5C6C7H4180.0°180.0°
C5S8O10N11115.0°114.1°
C5S8N11C1687.5°90.0°
C5S8N11C1254.7°90.0°
S8C5C4H20.1°0.0°
S8C5C6H30.0°0.0°
C32C19N20C17124.2°120.0°
C32C19N20H18117.2°120.0°
C32C19C17H18119.2°120.0°
C32C19C17C1668.1°65.0°
C32C19N20C21116.9°85.0°
C32C19C17O1854.3°55.0°
C32C19C17H16172.6°175.0°
C32C19N20H1963.1°95.0°
C19C32H28H29120.6°120.0°
O10S8N11C16158.1°156.5°
O10S8N11C1259.8°23.5°
S8N11C16C12143.0°180.0°
S8N11C16C17116.0°94.1°
S8N11C12C13135.9°93.2°
S8N11C12H515.2°146.8°
S8N11C12H6103.4°26.8°
S8N11C16H14124.0°146.0°
S8N11C16H154.0°25.9°
O41C30C29C31113.0°118.5°
O41C30C29H26125.9°122.9°
O41C30C31H26126.9°122.9°
O41C30C29O2896.8°116.9°
O41C30C31C24159.4°97.9°
O41C30C31C2778.2°141.2°
O41C30C29H24143.6°2.5°
O41C30C29H2522.8°123.7°
O41C30C31H2737.9°24.4°
C30O41C42H38180.0°60.1°
C30O41C42H3960.0°60.0°
C30O41C42H4060.0°180.0°
C29C30C31H26121.3°118.6°
C30C29O28H24119.6°119.4°
C30C29O28H25119.6°119.5°
C29C30C31C2488.9°143.6°
C29C30C31C2733.6°22.7°
C30C29O28C279.0°27.5°
C30C29H24H25121.1°121.3°
C29C30C31H27149.7°94.1°
C31C30C29O2816.2°1.6°
C30C31C24C27113.7°114.9°
C30C31C24H27121.3°122.2°
C30C31C27H27115.7°116.7°
C30C31C24O2344.9°55.6°
C30C31C24C25159.9°64.7°
C30C31C27O2840.1°39.4°
C30C31C27O26160.6°73.5°
C30C31C24H2078.2°175.0°
C30C31C27H2375.8°160.2°
C31C30C29H24103.4°121.0°
C31C30C29H25135.8°117.8°
N20C19C17H18119.1°120.0°
N20C19C17C16170.2°175.0°
C19N20C21O2211.5°0.0°
C19N20C21H19180.0°180.0°
C19N20C21O23167.2°180.0°
N20C19C17O1867.4°65.0°
N20C19C17H1650.9°55.0°
N20C19C32H28179.1°55.0°
N20C19C32H2958.7°175.0°
C19C17C16N1172.1°175.0°
C19C17C16O18121.7°120.0°
C19C17C16H16119.4°120.0°
C17C19N20C21118.9°155.0°
C19C17O18H16117.5°120.0°
C19C17C16H14167.9°65.0°
C19C17C16H1547.9°55.0°
C19C17O18H17180.0°60.1°
C17C19N20H1961.1°25.0°
C17C19C32H2856.2°65.0°
C17C19C32H2964.2°55.0°
C29O28C27C3131.6°41.9°
C29O28C27O26157.9°74.2°
C29O28C27H2383.7°163.0°
O28C29H24H25121.2°121.1°
O28C29C30H26137.3°120.2°
N11C16C17H14120.0°120.0°
N11C16C17H15120.0°120.0°
N11C16C17O18166.3°64.9°
C16N11C12C1380.8°86.8°
C16N11C12H5158.5°33.1°
C16N11C12H640.0°153.2°
N11C16H14H15120.0°120.0°
N11C16C17H1647.3°55.0°
C12N11C16C17101.0°85.9°
N11C12C13H5120.7°119.9°
N11C12C13H6120.8°120.0°
N11C12C13C1460.2°63.1°
N11C12C13C15179.0°176.9°
N11C12H5H6117.7°120.0°
N11C12C13H760.2°57.0°
C12N11C16H1419.0°34.0°
C12N11C16H15139.0°154.1°
C16C17O18H16118.2°120.0°
C17C16H14H15119.9°120.0°
C16C17O18H1755.8°60.0°
C16C17C19H1851.1°55.0°
O22C21N20O23178.6°180.0°
O22C21O23C243.4°0.0°
O22C21N20H19168.6°180.0°
N20C21O23C24177.9°180.0°
C21N20C19H180.3°35.0°
C21O23C24C31147.3°148.7°
C21O23C24C2595.7°90.0°
O23C21N20H1912.8°0.0°
C21O23C24H2025.2°29.4°
C24C31C27H27124.8°122.8°
C31C24O23C25117.0°121.3°
C31C24O23H20122.1°119.3°
C31C24C25H20121.9°120.2°
C24C31C27O2879.4°159.8°
C24C31C27O2641.1°47.0°
C31C24C25C4452.2°56.7°
C31C24C25H2167.8°176.3°
C31C24C25H22172.2°63.0°
C24C31C27H23164.7°79.3°
C24C31C30H2632.5°25.0°
C27C31C24O2368.9°170.5°
C27C31C24C2546.2°50.2°
C31C27O28O26126.4°116.1°
C31C27O28H23115.2°121.1°
C31C27O26H23123.1°126.7°
C31C27O26C4440.6°54.9°
C27C31C24H20168.1°70.1°
C27C31C30H26154.9°95.8°
O18C17C16H1446.2°55.0°
O18C17C16H1573.7°175.0°
O18C17C19H18173.5°175.0°
O23C24C25H20121.8°119.4°
O23C24C25C4464.1°177.0°
O23C24C25H21175.9°63.4°
O23C24C25H2256.0°57.3°
O23C24C31H27166.1°66.6°
C24C25C44H21120.0°119.6°
C24C25C44H22120.1°119.7°
C24C25C44O2656.5°61.2°
C24C25H21H22119.9°120.7°
C25C24C31H2778.8°173.1°
C24C25C44H41177.5°58.4°
C24C25C44H4264.5°179.1°
O28C27O26H23118.4°123.0°
O28C27O26C4477.9°165.2°
C27O28C29H24128.6°146.9°
C27O28C29H25110.6°92.0°
O28C27C31H27155.7°77.4°
C12C13C14C15121.7°120.0°
C12C13C14H7120.4°120.0°
C12C13C15H7118.8°119.9°
C13C12H5H6117.7°120.1°
C12C13C14H8180.0°52.8°
C12C13C14H960.0°172.7°
C12C13C14H1060.0°67.3°
C12C13C15H11180.0°59.9°
C12C13C15H1260.0°180.0°
C12C13C15H1360.0°60.1°
C27O26C44C2549.3°62.9°
O26C27C31H2783.8°169.8°
C27O26C44H41170.2°56.8°
C27O26C44H4271.7°177.4°
C14C13C15H7117.9°120.0°
C14C13C12H560.5°56.9°
C14C13C12H6179.0°177.0°
C13C14H8H9120.0°120.0°
C13C14H8H10120.0°120.0°
C13C14H9H10120.0°120.0°
C14C13C15H1156.7°180.0°
C14C13C15H1263.3°60.0°
C14C13C15H13176.7°60.0°
C15C13C12H560.3°63.2°
C15C13C12H658.2°56.9°
C15C13C14H858.3°67.2°
C15C13C14H9178.3°52.7°
C15C13C14H1061.7°172.7°
C13C15H11H12120.0°120.0°
C13C15H11H13120.0°119.9°
C13C15H12H13120.0°119.9°
C25C44O26H41121.0°119.7°
C25C44O26H42121.0°119.7°
C44C25C24H20174.1°63.5°
C44C25H21H22119.8°120.7°
C25C44H41H42116.9°120.6°
O26C44C25H2163.5°179.2°
O26C44C25H22176.5°58.5°
C44O26C27H23163.7°71.8°
O26C44H41H42116.9°120.5°
H1C3C4H20.1°0.1°
H3C6C7H40.0°0.0°
H5C12C13H7179.0°176.9°
H6C12C13H760.5°63.0°
H7C13C14H859.6°172.8°
H7C13C14H960.5°67.3°
H7C13C14H10179.6°52.7°
H7C13C15H1161.3°60.0°
H7C13C15H12178.8°60.1°
H7C13C15H1358.8°180.0°
H8C14H9H10120.0°120.0°
H11C15H12H13120.0°120.1°
H14C16C17H1672.7°175.0°
H15C16C17H16167.3°65.0°
H16C17O18H1762.4°180.0°
H16C17C19H1868.2°65.0°
H18C19N20H19179.7°145.0°
H18C19C32H2863.0°175.0°
H18C19C32H29176.5°65.0°
H20C24C25H2154.1°56.0°
H20C24C25H2265.8°176.8°
H20C24C31H2743.1°52.7°
H21C25C44H4157.4°61.2°
H21C25C44H42175.5°59.5°
H22C25C44H4162.5°178.1°
H22C25C44H4255.6°61.2°
H23C27C31H2739.8°43.5°
H24C29C30H2617.7°120.4°
H25C29C30H26103.1°0.8°
H26C30C31H2789.0°147.3°
H30C33C34H314.7°0.2°
H31C34C35H328.7°0.0°
H32C35C36H338.0°0.0°
H33C36C37H343.5°0.1°
H35C40H36H37120.0°120.0°
H38C42H39H40120.0°119.9°

222415

PDB entries from 2024-07-10

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