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X90

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21O19sing1.34Å1.46Å
O19HO19sing0.97Å0.95Å
C22C21sing1.51Å1.51Å
C21O21doub1.21Å1.22Å
C23C22sing1.53Å1.53Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C24C23sing1.53Å1.52Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C25C24sing1.53Å1.53Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C26C25sing1.53Å1.52Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C27C26sing1.53Å1.52Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C28C27sing1.53Å1.52Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C29C28sing1.53Å1.52Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C39C29sing1.53Å1.52Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C31C30sing1.53Å1.53Å
C30C39sing1.53Å1.53Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C32C31sing1.53Å1.52Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C33C32sing1.53Å1.53Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C34C33sing1.53Å1.53Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C35C34sing1.53Å1.51Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C36C35sing1.53Å1.51Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C36H36Bsing1.09Å1.10Å
C39H39sing1.09Å1.10Å
C39H39Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21O19HO19109.5°117.0°
O19C21C22120.5°120.0°
O19C21O21119.1°120.0°
C22C21O21120.4°120.0°
C21C22C23109.9°109.5°
C21C22H22109.3°109.5°
C21C22H22A109.3°109.5°
C23C22H22109.3°109.4°
C23C22H22A109.3°109.5°
C22C23C24110.0°109.5°
C22C23H23109.3°109.4°
C22C23H23A109.3°109.5°
H22C22H22A109.6°109.4°
C24C23H23109.3°109.5°
C24C23H23A109.3°109.5°
C23C24C25113.8°109.5°
C23C24H24108.0°109.5°
C23C24H24A108.1°109.5°
H23C23H23A109.7°109.5°
C25C24H24108.0°109.4°
C25C24H24A108.0°109.5°
C24C25C26108.3°109.5°
C24C25H25109.8°109.4°
C24C25H25A109.9°109.4°
H24C24H24A110.9°109.4°
C26C25H25109.9°109.5°
C26C25H25A109.9°109.5°
C25C26C27114.4°109.5°
C25C26H26107.9°109.5°
C25C26H26A107.9°109.5°
H25C25H25A109.1°109.5°
C27C26H26107.8°109.5°
C27C26H26A107.9°109.4°
C26C27C28106.9°109.5°
C26C27H27110.3°109.5°
C26C27H27A110.3°109.4°
H26C26H26A111.1°109.4°
C28C27H27110.3°109.5°
C28C27H27A110.3°109.4°
C27C28C29112.9°109.5°
C27C28H28108.3°109.5°
C27C28H28A108.3°109.4°
H27C27H27A108.6°109.5°
C29C28H28108.3°109.5°
C29C28H28A108.4°109.5°
C28C29C39105.2°109.5°
C28C29H29110.9°109.5°
C28C29H29A110.9°109.5°
H28C28H28A110.6°109.5°
C39C29H29110.9°109.4°
C39C29H29A110.9°109.4°
C29C39C3090.4°109.5°
C29C39H39116.4°109.4°
C29C39H39A116.4°109.5°
H29C29H29A108.0°109.5°
C31C30C39112.9°109.5°
C31C30H30108.4°109.5°
C31C30H30A108.3°109.5°
C30C31C32111.6°109.5°
C30C31H31108.7°109.5°
C30C31H31A108.7°109.5°
C39C30H30108.3°109.4°
C39C30H30A108.4°109.4°
C30C39H39116.4°109.5°
C30C39H39A116.4°109.5°
H30C30H30A110.6°109.5°
C32C31H31108.8°109.4°
C32C31H31A108.8°109.5°
C31C32C33111.4°109.5°
C31C32H32108.8°109.4°
C31C32H32A108.8°109.5°
H31C31H31A110.2°109.4°
C33C32H32108.8°109.5°
C33C32H32A108.8°109.5°
C32C33C34112.8°109.5°
C32C33H33108.4°109.5°
C32C33H33A108.4°109.5°
H32C32H32A110.1°109.5°
C34C33H33108.4°109.4°
C34C33H33A108.3°109.5°
C33C34C35111.5°109.5°
C33C34H34108.8°109.4°
C33C34H34A108.8°109.4°
H33C33H33A110.6°109.4°
C35C34H34108.8°109.5°
C35C34H34A108.8°109.5°
C34C35C36111.0°109.5°
C34C35H35109.0°109.5°
C34C35H35A109.0°109.5°
H34C34H34A110.1°109.5°
C36C35H35109.0°109.5°
C36C35H35A109.0°109.4°
C35C36H36109.5°109.5°
C35C36H36A109.4°109.4°
C35C36H36B109.5°109.5°
H35C35H35A110.0°109.4°
H36C36H36A109.5°109.5°
H36C36H36B109.5°109.5°
H36AC36H36B109.5°109.4°
H39C39H39A101.7°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O19C21C22O21179.5°180.0°
O19C21C22C2354.9°180.0°
O19C21C22H22174.9°60.0°
O19C21C22H22A65.1°60.0°
HO19O19C21C22179.5°180.0°
HO19O19C21O210.0°0.0°
C21C22C23H22120.0°120.0°
C21C22C23H22A120.0°120.0°
C21C22H22H22A119.9°120.0°
C21C22C23C24171.1°180.0°
C21C22C23H2351.1°60.0°
C21C22C23H23A68.9°60.0°
O21C21C22C23124.6°0.0°
O21C21C22H224.6°120.0°
O21C21C22H22A115.4°120.0°
C23C22H22H22A119.8°120.0°
C22C23C24H23120.0°119.9°
C22C23C24H23A120.0°120.0°
C22C23H23H23A119.8°120.0°
C22C23C24C25145.4°180.0°
C22C23C24H2425.4°60.0°
C22C23C24H24A94.6°60.0°
H22C22C23C2468.9°60.0°
H22C22C23H23171.1°180.0°
H22C22C23H23A51.1°60.0°
H22AC22C23C2451.1°59.9°
H22AC22C23H2368.9°60.0°
H22AC22C23H23A171.1°180.0°
C24C23H23H23A119.8°120.1°
C23C24C25H24120.0°120.0°
C23C24C25H24A120.0°120.1°
C23C24H24H24A118.2°120.0°
C23C24C25C26135.6°180.0°
C23C24C25H25104.3°60.0°
C23C24C25H25A15.6°60.0°
H23C23C24C2594.6°60.1°
H23C23C24H24145.4°180.0°
H23C23C24H24A25.4°60.0°
H23AC23C24C2525.4°60.0°
H23AC23C24H2494.6°60.0°
H23AC23C24H24A145.4°180.0°
C25C24H24H24A118.2°120.0°
C24C25C26H25120.0°120.0°
C24C25C26H25A120.0°120.0°
C24C25H25H25A120.4°120.0°
C24C25C26C27170.8°180.0°
C24C25C26H2669.2°60.0°
C24C25C26H26A50.8°60.0°
H24C24C25C2615.7°60.0°
H24C24C25H25135.7°180.0°
H24C24C25H25A104.4°60.0°
H24AC24C25C26104.3°60.0°
H24AC24C25H2515.7°60.1°
H24AC24C25H25A135.6°180.0°
C26C25H25H25A120.5°120.0°
C25C26C27H26120.0°120.1°
C25C26C27H26A120.0°120.0°
C25C26H26H26A118.0°120.0°
C25C26C27C28160.1°180.0°
C25C26C27H2779.9°60.0°
C25C26C27H27A40.1°60.1°
H25C25C26C2750.8°60.0°
H25C25C26H26170.8°180.0°
H25C25C26H26A69.2°60.0°
H25AC25C26C2769.2°60.1°
H25AC25C26H2650.8°60.0°
H25AC25C26H26A170.8°180.0°
C27C26H26H26A118.0°119.9°
C26C27C28H27120.0°120.1°
C26C27C28H27A120.0°120.0°
C26C27H27H27A121.0°120.0°
C26C27C28C29169.3°180.0°
C26C27C28H2870.7°59.9°
C26C27C28H28A49.3°60.0°
H26C26C27C2840.1°59.9°
H26C26C27H27160.1°180.0°
H26C26C27H27A79.9°60.0°
H26AC26C27C2879.9°60.0°
H26AC26C27H2740.1°60.0°
H26AC26C27H27A160.1°179.9°
C28C27H27H27A121.0°119.9°
C27C28C29H28120.0°120.0°
C27C28C29H28A120.0°120.0°
C27C28H28H28A118.6°119.9°
C27C28C29C39144.9°180.0°
C27C28C29H2924.9°60.0°
C27C28C29H29A95.1°60.1°
H27C27C28C2949.3°60.0°
H27C27C28H28169.3°180.0°
H27C27C28H28A70.7°60.1°
H27AC27C28C2970.7°60.0°
H27AC27C28H2849.3°60.0°
H27AC27C28H28A169.3°180.0°
C29C28H28H28A118.6°120.1°
C28C29C39H29120.0°120.0°
C28C29C39H29A120.0°120.0°
C28C29H29H29A121.7°120.1°
C28C29C39C30116.1°180.0°
C28C29C39H39123.8°60.0°
C28C29C39H39A3.8°59.9°
H28C28C29C3995.1°60.0°
H28C28C29H29144.9°180.0°
H28C28C29H29A24.9°59.9°
H28AC28C29C3924.9°60.0°
H28AC28C29H2995.1°60.0°
H28AC28C29H29A144.9°180.0°
C39C29H29H29A121.7°119.9°
C29C39C30C31150.9°180.0°
C29C39C30H39120.0°120.0°
C29C39C30H39A120.0°120.1°
C29C39C30H3089.1°60.0°
C29C39C30H30A30.9°60.0°
C29C39H39H39A127.6°119.9°
H29C29C39C303.9°60.0°
H29C29C39H39116.1°NaN°
H29C29C39H39A123.9°60.1°
H29AC29C39C30123.9°60.0°
H29AC29C39H393.9°60.0°
H29AC29C39H39A116.1°179.9°
C31C30C39H30120.0°120.0°
C31C30C39H30A120.0°120.0°
C31C30H30H30A118.6°120.1°
C30C31C32H31120.0°120.0°
C30C31C32H31A120.0°120.0°
C30C31H31H31A119.1°120.0°
C30C31C32C3385.3°180.0°
C30C31C32H3234.7°60.0°
C30C31C32H32A154.7°60.0°
C31C30C39H3989.1°60.0°
C31C30C39H39A30.9°60.0°
C39C30H30H30A118.6°120.0°
C39C30C31C32115.1°180.0°
C39C30C31H314.9°60.0°
C39C30C31H31A124.9°60.0°
C30C39H39H39A127.6°120.0°
H30C30C31C324.9°60.0°
H30C30C31H31124.9°60.0°
H30C30C31H31A115.1°180.0°
H30C30C39H3930.9°60.0°
H30C30C39H39A150.9°180.0°
H30AC30C31C32124.9°60.0°
H30AC30C31H31115.1°180.0°
H30AC30C31H31A4.9°60.0°
H30AC30C39H39150.9°180.0°
H30AC30C39H39A89.1°60.1°
C32C31H31H31A119.2°120.0°
C31C32C33H32120.0°120.0°
C31C32C33H32A120.0°120.0°
C31C32H32H32A119.2°120.0°
C31C32C33C34160.0°NaN°
C31C32C33H3380.0°60.0°
C31C32C33H33A40.0°60.0°
H31C31C32C33154.7°60.0°
H31C31C32H3285.3°180.0°
H31C31C32H32A34.7°60.0°
H31AC31C32C3334.7°59.9°
H31AC31C32H32154.7°60.1°
H31AC31C32H32A85.3°180.0°
C33C32H32H32A119.2°120.1°
C32C33C34H33120.0°120.0°
C32C33C34H33A120.0°120.1°
C32C33H33H33A118.7°120.0°
C32C33C34C3558.5°180.0°
C32C33C34H34178.5°60.0°
C32C33C34H34A61.5°60.0°
H32C32C33C3440.0°60.0°
H32C32C33H33160.0°180.0°
H32C32C33H33A80.0°60.0°
H32AC32C33C3480.0°60.0°
H32AC32C33H3340.0°60.0°
H32AC32C33H33A160.0°180.0°
C34C33H33H33A118.6°120.0°
C33C34C35H34120.0°120.0°
C33C34C35H34A120.0°120.0°
C33C34H34H34A119.2°120.0°
C33C34C35C36140.4°180.0°
C33C34C35H3599.6°60.0°
C33C34C35H35A20.3°60.0°
H33C33C34C3561.5°60.0°
H33C33C34H3458.5°180.0°
H33C33C34H34A178.5°60.0°
H33AC33C34C35178.5°60.0°
H33AC33C34H3461.6°60.1°
H33AC33C34H34A58.4°179.9°
C35C34H34H34A119.2°120.0°
C34C35C36H35120.0°120.1°
C34C35C36H35A120.0°120.0°
C34C35H35H35A119.4°120.0°
C34C35C36H36180.0°60.0°
C34C35C36H36A60.0°60.1°
C34C35C36H36B60.0°180.0°
H34C34C35C3620.4°60.0°
H34C34C35H35140.4°180.0°
H34C34C35H35A99.6°60.0°
H34AC34C35C3699.7°60.1°
H34AC34C35H3520.3°60.0°
H34AC34C35H35A140.3°180.0°
C36C35H35H35A119.4°119.9°
C35C36H36H36A120.0°120.0°
C35C36H36H36B120.0°120.0°
C35C36H36AH36B120.0°119.9°
H35C35C36H3660.0°180.0°
H35C35C36H36A180.0°60.0°
H35C35C36H36B60.0°59.9°
H35AC35C36H3660.0°60.0°
H35AC35C36H36A60.0°179.9°
H35AC35C36H36B180.0°60.0°
H36C36H36AH36B120.0°120.0°

222415

PDB entries from 2024-07-10

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