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1BQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O17S15doub1.42Å1.42Å
C13N12doub1.32Å1.32ÅAromatic
C13C14sing1.37Å1.37ÅAromatic
N12N10sing1.41Å1.40ÅAromatic
C1N2sing1.46Å1.47Å
C14S15sing1.76Å1.76Å
C14C9doub1.38Å1.38ÅAromatic
S15N2sing1.67Å1.68Å
S15O16doub1.42Å1.43Å
N10C9sing1.35Å1.34ÅAromatic
N2C3sing1.40Å1.41Å
C9C8sing1.48Å1.46Å
C3C8doub1.40Å1.41ÅAromatic
C3C4sing1.39Å1.41ÅAromatic
C8C7sing1.39Å1.40ÅAromatic
C4C5doub1.38Å1.38ÅAromatic
C7C6doub1.39Å1.39ÅAromatic
C5C6sing1.40Å1.41ÅAromatic
C6C18sing1.48Å1.49Å
O32C31sing1.43Å1.43Å
C18C19doub1.40Å1.41ÅAromatic
C18C23sing1.40Å1.39ÅAromatic
C19C20sing1.38Å1.39ÅAromatic
C33C34sing1.53Å1.52Å
C33C29sing1.53Å1.53Å
C23C22doub1.38Å1.38ÅAromatic
C20C21doub1.40Å1.41ÅAromatic
C30C31sing1.53Å1.53Å
C30C29sing1.53Å1.53Å
C34N26sing1.47Å1.47Å
C22C21sing1.40Å1.40ÅAromatic
C29C28sing1.53Å1.53Å
C21C24sing1.48Å1.48Å
N26C24sing1.35Å1.35Å
N26C27sing1.47Å1.48Å
C24O25doub1.22Å1.22Å
C28C27sing1.53Å1.54Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C7H6sing1.08Å1.08Å
N10H7sing0.97Å1.00Å
C13H8sing1.08Å1.08Å
C19H9sing1.08Å1.08Å
C20H10sing1.08Å1.08Å
C22H11sing1.08Å1.08Å
C23H12sing1.08Å1.08Å
C27H13sing1.09Å1.10Å
C27H14sing1.09Å1.10Å
C28H15sing1.09Å1.10Å
C28H16sing1.09Å1.10Å
C29H17sing1.09Å1.10Å
C30H18sing1.09Å1.10Å
C30H19sing1.09Å1.10Å
C31H20sing1.09Å1.10Å
C31H21sing1.09Å1.10Å
O32H22sing0.97Å0.95Å
C33H23sing1.09Å1.10Å
C33H24sing1.09Å1.10Å
C34H25sing1.09Å1.10Å
C34H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O17S15C14106.0°107.0°
O17S15N2110.1°106.8°
O17S15O16121.5°123.8°
N12C13C14107.1°108.1°
C13N12N10109.3°108.7°
N12C13H8126.4°126.0°
C13C14S15131.0°131.1°
C13C14C9108.9°108.7°
C14C13H8126.5°125.9°
N12N10C9107.5°107.7°
N12N10H7126.2°126.1°
C1N2S15119.2°120.3°
C1N2C3120.6°120.3°
N2C1H1109.5°109.4°
N2C1H2109.5°109.5°
N2C1H3109.5°109.5°
S15C14C9120.0°120.3°
C14S15N2103.0°103.6°
C14S15O16107.6°107.0°
C14C9N10107.1°106.8°
C14C9C8123.6°122.2°
N2S15O16107.1°107.0°
S15N2C3120.2°119.4°
N10C9C8129.3°131.0°
C9N10H7126.2°126.1°
N2C3C8122.7°123.0°
N2C3C4119.2°117.7°
C9C8C3120.6°121.1°
C9C8C7117.7°119.1°
C8C3C4118.1°119.3°
C3C8C7121.7°119.9°
C3C4C5120.4°120.7°
C3C4H4119.8°119.6°
C8C7C6119.4°120.2°
C8C7H6120.3°119.9°
C4C5C6121.2°120.3°
C5C4H4119.8°119.7°
C4C5H5119.4°119.8°
C7C6C5119.1°119.7°
C7C6C18120.0°120.1°
C6C7H6120.3°119.9°
C5C6C18120.8°120.2°
C6C5H5119.4°119.9°
C6C18C19121.7°120.0°
C6C18C23118.5°120.0°
O32C31C30107.9°109.5°
O32C31H20109.9°109.5°
O32C31H21109.9°109.4°
C31O32H22109.5°114.1°
C19C18C23119.8°120.1°
C18C19C20120.4°120.0°
C18C19H9119.9°120.0°
C18C23C22120.0°120.0°
C18C23H12120.0°120.0°
C19C20C21119.2°120.0°
C20C19H9119.8°120.0°
C19C20H10120.4°120.0°
C34C33C29107.9°109.4°
C33C34N26105.5°109.1°
C34C33H23109.8°109.5°
C34C33H24109.9°109.5°
C33C34H25110.5°109.6°
C33C34H26110.5°109.6°
C33C29C30110.0°109.4°
C33C29C28111.3°109.6°
C33C29H17108.6°109.5°
C29C33H23109.9°109.7°
C29C33H24109.8°109.3°
C23C22C21120.4°120.0°
C23C22H11119.8°120.0°
C22C23H12120.0°120.0°
C20C21C22120.2°119.9°
C20C21C24122.6°120.0°
C21C20H10120.4°120.0°
C31C30C29105.9°109.5°
C31C30H18110.4°109.5°
C31C30H19110.4°109.5°
C30C31H20109.9°109.5°
C30C31H21109.8°109.5°
C30C29C28109.4°109.5°
C30C29H17108.7°109.5°
C29C30H18110.4°109.5°
C29C30H19110.3°109.5°
C34N26C24122.7°120.6°
C34N26C27117.6°118.7°
N26C34H25110.5°109.6°
N26C34H26110.5°109.3°
C22C21C24117.2°120.1°
C21C22H11119.8°120.0°
C29C28C27112.0°109.3°
C29C28H15108.8°109.5°
C29C28H16108.9°109.5°
C28C29H17108.7°109.5°
C21C24N26123.9°120.0°
C21C24O25117.0°120.0°
C24N26C27119.7°120.6°
N26C24O25119.1°120.0°
N26C27C28112.1°108.8°
N26C27H13108.8°109.6°
N26C27H14108.8°109.5°
C28C27H13108.8°109.6°
C28C27H14108.8°109.7°
C27C28H15108.8°109.5°
C27C28H16108.8°109.5°
H1C1H2109.5°109.4°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H13C27H14109.5°109.7°
H15C28H16109.4°109.5°
H18C30H19109.5°109.4°
H20C31H21109.5°109.4°
H23C33H24109.5°109.5°
H25C34H26109.4°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O17S15C14C1341.4°89.4°
O17S15N2C134.2°103.9°
O17S15C14N2115.7°112.6°
O17S15C14O16131.4°134.5°
O17S15C14C9137.1°90.9°
O17S15N2O16134.0°134.5°
O17S15N2C3147.6°76.5°
N12C13C14H8180.0°179.9°
N12C13C14S15179.3°179.6°
N12C13C14C90.6°0.1°
C13N12N10C91.2°0.1°
C13N12N10H7178.8°180.0°
C14C13N12N100.3°0.0°
C13C14S15C9178.5°179.7°
C13C14S15N2157.2°158.0°
C13C14S15O1689.9°45.1°
C13C14C9N101.4°0.2°
C13C14C9C8179.8°179.8°
N12N10C9C141.5°0.2°
N12N10C9H7180.0°179.9°
N12N10C9C8179.7°179.8°
N10N12C13H8179.6°179.9°
C1N2S15C14146.9°143.4°
C1N2S15C3178.2°179.7°
C1N2S15O1699.8°30.6°
C1N2C3C8154.5°149.6°
C1N2C3C426.4°30.3°
N2C1H1H2120.0°120.0°
N2C1H1H3120.0°120.1°
N2C1H2H3120.0°120.1°
C14S15N2O16113.3°112.8°
S15C14C9N10179.8°179.6°
C14S15N2C334.9°36.3°
S15C14C9C81.0°0.5°
S15C14C13H80.8°0.4°
C9C14S15N221.3°21.7°
C9C14S15O1691.6°134.6°
C14C9N10C8178.8°180.0°
C14C9C8C315.3°13.6°
C14C9C8C7165.4°165.4°
C14C9N10H7178.5°179.9°
C9C14C13H8179.4°179.9°
S15N2C3C827.3°30.1°
S15N2C3C4151.8°150.0°
S15N2C1H10.0°90.3°
S15N2C1H2120.0°29.7°
S15N2C1H3120.0°149.7°
O16S15N2C378.4°149.1°
N10C9C8C3166.1°166.5°
N10C9C8C713.2°14.6°
N2C3C8C90.7°2.3°
N2C3C8C4179.1°179.9°
N2C3C8C7179.9°178.8°
N2C3C4C5179.7°179.2°
C3N2C1H1178.2°90.1°
C3N2C1H258.2°150.0°
C3N2C1H361.8°30.0°
N2C3C4H40.3°0.8°
C9C8C3C7179.2°178.9°
C9C8C3C4179.8°177.9°
C9C8C7C6179.7°178.2°
C9C8C7H60.3°1.7°
C8C9N10H70.3°0.1°
C8C3C4C50.5°0.7°
C3C8C7C60.5°0.8°
C8C3C4H4179.4°179.4°
C3C8C7H6179.5°179.3°
C4C3C8C71.0°1.1°
C3C4C5H4180.0°179.9°
C3C4C5C60.4°0.0°
C3C4C5H5179.6°179.9°
C8C7C6H6180.0°180.0°
C8C7C6C50.5°0.0°
C8C7C6C18178.2°180.0°
C4C5C6C70.9°0.3°
C4C5C6H5180.0°179.9°
C4C5C6C18178.7°179.6°
C7C6C5C18177.8°180.0°
C7C6C18C190.4°180.0°
C7C6C18C23178.0°0.2°
C7C6C5H5179.1°179.6°
C5C6C18C19178.1°0.0°
C5C6C18C230.2°179.7°
C6C5C4H4179.6°179.9°
C5C6C7H6179.5°180.0°
C6C18C19C23178.3°179.7°
C6C18C19C20179.5°179.9°
C6C18C23C22178.9°179.8°
C18C6C5H51.3°0.4°
C18C6C7H61.7°0.0°
C6C18C19H90.5°0.1°
C6C18C23H121.1°0.1°
O32C31C30H20119.8°120.0°
O32C31C30H21119.8°120.0°
O32C31C30C2999.1°180.0°
O32C31C30H1820.3°60.0°
O32C31C30H19141.4°60.0°
O32C31H20H21120.8°119.9°
C18C19C20H9180.0°179.9°
C19C18C23C220.6°0.5°
C18C19C20C210.2°0.1°
C18C19C20H10179.8°179.9°
C19C18C23H12179.4°179.7°
C23C18C19C201.2°0.3°
C18C23C22H12180.0°179.8°
C18C23C22C211.0°0.5°
C23C18C19H9178.8°179.8°
C18C23C22H11179.0°179.7°
C19C20C21H10180.0°180.0°
C19C20C21C221.4°0.0°
C19C20C21C24178.0°180.0°
C34C33C29H23119.8°120.1°
C34C33C29H24119.8°119.8°
C34C33C29C30176.0°178.7°
C33C34N26H25119.4°120.0°
C33C34N26H26119.4°119.8°
C34C33C29C2862.6°61.2°
C33C34N26C24118.5°126.4°
C33C34N26C2760.6°53.3°
C34C33C29H1757.1°58.8°
C34C33H23H24120.7°120.1°
C33C34H25H26121.9°120.4°
C33C29C30C31121.6°64.9°
C33C29C30C28122.6°120.1°
C33C29C30H17118.9°120.0°
C29C33C34N2664.5°54.4°
C33C29C28H17119.6°120.0°
C33C29C28C2749.8°61.4°
C33C29C28H1570.6°178.7°
C33C29C28H16170.2°58.6°
C33C29C30H182.2°175.1°
C33C29C30H19118.9°55.1°
C29C33H23H24120.7°119.9°
C29C33C34H2554.9°174.4°
C29C33C34H26176.2°65.2°
C23C22C21C202.0°0.2°
C23C22C21H11180.0°179.8°
C23C22C21C24178.8°179.8°
C20C21C22C24176.8°180.0°
C20C21C24N26114.7°129.3°
C20C21C24O2567.2°50.7°
C21C20C19H9179.8°180.0°
C20C21C22H11178.0°179.9°
C31C30C29H18119.5°120.0°
C31C30C29H19119.4°120.0°
C31C30C29C28115.8°175.0°
C31C30C29H172.8°55.0°
C31C30H18H19121.6°119.9°
C30C31H20H21120.7°120.0°
C30C31O32H22180.0°180.0°
C30C29C28H17118.6°120.0°
C30C29C28C27171.6°178.6°
C30C29C28H1551.2°58.7°
C30C29C28H1668.1°61.4°
C29C30H18H19121.6°120.0°
C29C30C31H20141.1°60.0°
C29C30C31H2120.7°60.0°
C30C29C33H2364.2°58.6°
C30C29C33H2456.2°61.4°
C34N26C24C212.0°3.4°
C34N26C24C27179.1°179.7°
C34N26C24O25179.9°176.5°
C34N26C27C2849.2°53.3°
C34N26C27H1371.2°66.4°
C34N26C27H14169.6°173.2°
N26C34C33H2355.3°174.6°
N26C34C33H24175.8°65.3°
N26C34H25H26121.8°119.9°
C22C21C24N2668.6°50.7°
C22C21C24O25109.5°129.2°
C22C21C20H10178.6°180.0°
C21C22C23H12179.0°179.7°
C29C28C27N2641.1°54.6°
C29C28C27H15120.4°120.0°
C29C28C27H16120.4°120.0°
C29C28C27H1379.3°65.1°
C29C28C27H14161.5°174.4°
C29C28H15H16118.9°120.1°
C28C29C30H18124.8°55.0°
C28C29C30H193.7°65.0°
C28C29C33H2357.2°178.7°
C28C29C33H24177.6°58.6°
C21C24N26O25178.1°179.9°
C21C24N26C27178.9°176.2°
C24C21C20H102.0°0.0°
C24C21C22H111.2°0.0°
C24N26C27C28129.9°126.3°
C24N26C27H13109.7°113.9°
C24N26C27H149.5°6.5°
C24N26C34H25122.1°6.4°
C24N26C34H260.9°113.8°
C27N26C24O250.8°3.8°
N26C27C28H13120.4°119.8°
N26C27C28H14120.4°119.8°
N26C27H13H14118.8°120.3°
N26C27C28H1579.3°174.6°
N26C27C28H16161.5°65.4°
C27N26C34H2558.8°173.3°
C27N26C34H26180.0°66.5°
C28C27H13H14118.8°120.5°
C27C28H15H16118.8°120.1°
C27C28C29H1769.8°58.6°
H1C1H2H3120.0°120.0°
H4C4C5H50.4°0.1°
H9C19C20H100.2°0.1°
H11C22C23H121.0°0.1°
H13C27C28H15160.3°54.8°
H13C27C28H1641.1°174.9°
H14C27C28H1541.1°65.6°
H14C27C28H1678.1°54.4°
H15C28C29H17169.8°61.3°
H16C28C29H1750.5°178.6°
H17C29C30H18116.7°65.0°
H17C29C30H19122.2°175.1°
H17C29C33H23176.9°61.3°
H17C29C33H2462.7°178.6°
H18C30C31H2099.4°180.0°
H18C30C31H21140.1°60.0°
H19C30C31H2021.7°60.1°
H19C30C31H2198.8°179.9°
H20C31O32H2260.3°59.9°
H21C31O32H2260.2°60.0°
H23C33C34H25174.7°65.4°
H23C33C34H2664.1°55.0°
H24C33C34H2564.8°54.7°
H24C33C34H2656.4°175.1°

223532

PDB entries from 2024-08-07

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