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T8B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13O4sing1.45Å1.43Å
O4C12sing1.35Å1.36Å
O3C12doub1.22Å1.22Å
C12C11sing1.47Å1.46Å
C11O5sing1.35Å1.40Å
C11C10doub1.36Å1.34Å
O5C14sing1.36Å1.37Å
C10C9sing1.47Å1.45Å
C14O6doub1.22Å1.22Å
C14C15sing1.47Å1.49Å
C9C15sing1.47Å1.40ÅAromatic
C9C8doub1.38Å1.40ÅAromatic
C15C16doub1.38Å1.40ÅAromatic
C8C7sing1.41Å1.40ÅAromatic
C16O7sing1.35Å1.37Å
C16C17sing1.41Å1.41ÅAromatic
C7C17doub1.47Å1.41ÅAromatic
C7C6sing1.40Å1.41ÅAromatic
C17C18sing1.40Å1.40ÅAromatic
C6C5doub1.39Å1.41ÅAromatic
C18O8sing1.35Å1.37Å
C18C20doub1.40Å1.40ÅAromatic
O8C19sing1.43Å1.42Å
C5C20sing1.47Å1.41ÅAromatic
C5C4sing1.41Å1.40ÅAromatic
C20C21sing1.41Å1.41ÅAromatic
C4C3doub1.35Å1.40ÅAromatic
C21O9sing1.35Å1.37Å
C21C23doub1.39Å1.40ÅAromatic
O9C22sing1.43Å1.42Å
C3C23sing1.41Å1.39ÅAromatic
C3C2sing1.51Å1.49Å
C23C24sing1.47Å1.46Å
O2C1doub1.21Å1.22Å
C2C1sing1.51Å1.51Å
O10C24doub1.22Å1.24Å
C1O1sing1.34Å1.36Å
C24C25sing1.41Å1.50Å
C25C26doub1.36Å1.35Å
C26O11sing1.35Å1.38Å
C26C27sing1.47Å1.48Å
O12C32sing1.36Å1.36Å
C27C32doub1.40Å1.38ÅAromatic
C27C28sing1.40Å1.39ÅAromatic
C32C31sing1.39Å1.40ÅAromatic
C28C29doub1.38Å1.39ÅAromatic
C31C30doub1.38Å1.39ÅAromatic
C29C30sing1.39Å1.40ÅAromatic
O1H1sing0.97Å0.95Å
C2H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C4H4sing1.08Å1.08Å
C6H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
C10H7sing1.08Å1.08Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
O7H11sing0.97Å0.95Å
C19H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C22H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C25H18sing1.08Å1.08Å
O11H19sing0.97Å0.95Å
C28H20sing1.08Å1.08Å
C29H21sing1.08Å1.08Å
C30H22sing1.08Å1.08Å
C31H23sing1.08Å1.08Å
O12H24sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13O4C12115.5°117.0°
O4C13H8109.5°109.5°
O4C13H9109.4°109.4°
O4C13H10109.4°109.5°
O4C12O3127.5°120.0°
O4C12C11108.8°120.0°
O3C12C11123.7°120.0°
C12C11O5117.3°118.7°
C12C11C10118.7°118.8°
O5C11C10124.0°122.5°
C11O5C14121.6°118.4°
C11C10C9117.8°118.5°
C11C10H7121.1°120.8°
O5C14O6120.3°121.7°
O5C14C15116.6°116.6°
C10C9C15119.7°116.8°
C10C9C8120.8°122.8°
C9C10H7121.1°120.7°
O6C14C15123.1°121.7°
C14C15C9120.3°116.3°
C14C15C16119.5°122.9°
C15C9C8119.5°120.5°
C9C15C16120.2°120.7°
C9C8C7120.9°119.7°
C9C8H6119.6°120.1°
C15C16O7119.0°120.4°
C15C16C17120.7°119.2°
C8C7C17119.5°120.0°
C8C7C6121.3°119.9°
C7C8H6119.5°120.2°
O7C16C17120.3°120.4°
C16O7H11109.5°113.9°
C16C17C7119.2°120.0°
C16C17C18121.4°120.0°
C17C7C6119.2°120.1°
C7C17C18119.4°120.0°
C7C6C5121.4°119.9°
C7C6H5119.3°120.0°
C17C18O8119.6°120.2°
C17C18C20121.4°119.6°
C6C5C20119.2°120.2°
C6C5C4121.4°120.7°
C5C6H5119.3°120.0°
O8C18C20119.0°120.2°
C18O8C19116.7°117.0°
C18C20C5119.4°120.2°
C18C20C21121.4°120.9°
O8C19H12109.5°109.5°
O8C19H13109.5°109.5°
O8C19H14109.4°109.5°
C20C5C4119.4°119.1°
C5C20C21119.2°118.9°
C5C4C3120.7°120.1°
C5C4H4119.6°120.0°
C20C21O9122.3°120.4°
C20C21C23120.6°119.2°
C4C3C23119.9°121.6°
C4C3C2118.8°119.2°
C3C4H4119.6°119.9°
O9C21C23117.1°120.4°
C21O9C22116.9°117.0°
C21C23C3120.2°121.0°
C21C23C24120.2°119.5°
O9C22H15109.5°109.5°
O9C22H16109.5°109.4°
O9C22H17109.4°109.5°
C23C3C2121.4°119.1°
C3C23C24119.6°119.5°
C3C2C1113.3°109.4°
C3C2H2108.5°109.5°
C3C2H3108.5°109.4°
C23C24O10120.5°120.0°
C23C24C25118.3°120.0°
O2C1C2125.3°120.0°
O2C1O1122.9°120.0°
C2C1O1111.8°120.0°
C1C2H2108.5°109.5°
C1C2H3108.5°109.4°
O10C24C25121.2°120.0°
C1O1H1109.5°117.0°
C24C25C26124.1°120.0°
C24C25H18118.0°120.0°
C25C26O11124.9°120.0°
C25C26C27121.4°120.0°
C26C25H18118.0°120.0°
O11C26C27113.6°120.0°
C26O11H19109.5°114.0°
C26C27C32120.3°120.2°
C26C27C28118.3°120.2°
O12C32C27122.0°120.1°
O12C32C31118.7°120.2°
C32O12H24109.5°114.0°
C32C27C28121.4°119.6°
C27C32C31119.3°119.7°
C27C28C29119.3°119.9°
C27C28H20120.4°120.1°
C32C31C30120.0°120.1°
C32C31H23120.0°120.0°
C28C29C30120.0°120.4°
C29C28H20120.4°120.1°
C28C29H21120.0°119.8°
C31C30C29120.0°120.4°
C31C30H22120.0°119.8°
C30C31H23120.0°120.0°
C30C29H21120.0°119.8°
C29C30H22120.0°119.9°
H2C2H3109.4°109.5°
H8C13H9109.5°109.5°
H8C13H10109.4°109.5°
H9C13H10109.5°109.4°
H12C19H13109.5°109.4°
H12C19H14109.5°109.5°
H13C19H14109.5°109.4°
H15C22H16109.5°109.5°
H15C22H17109.5°109.5°
H16C22H17109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13O4C12O30.1°0.0°
C13O4C12C11179.9°180.0°
O4C13H8H9120.0°120.0°
O4C13H8H10120.0°120.0°
O4C13H9H10120.0°120.0°
O4C12O3C11179.9°180.0°
O4C12C11O50.2°0.0°
O4C12C11C10180.0°180.0°
C12O4C13H8180.0°180.0°
C12O4C13H960.0°60.0°
C12O4C13H1060.0°60.0°
O3C12C11O5179.9°180.0°
O3C12C11C100.1°0.0°
C12C11O5C10179.8°180.0°
C12C11O5C14180.0°151.2°
C12C11C10C9180.0°178.5°
C12C11C10H70.0°1.6°
O5C11C10C90.3°1.6°
C11O5C14O6179.8°140.0°
C11O5C14C150.1°40.0°
O5C11C10H7179.7°178.4°
C10C11O5C140.2°28.8°
C11C10C9H7180.0°180.0°
C11C10C9C150.2°12.2°
C11C10C9C8180.0°168.0°
O5C14O6C15179.9°180.0°
O5C14C15C90.0°24.9°
O5C14C15C16180.0°155.0°
C10C9C15C140.1°0.5°
C10C9C15C8179.8°179.9°
C10C9C15C16180.0°179.6°
C10C9C8C7180.0°179.7°
C10C9C8H60.0°0.3°
O6C14C15C9179.9°155.1°
O6C14C15C160.0°25.1°
C14C15C9C16179.9°179.9°
C14C15C9C8179.9°179.6°
C14C15C16O70.1°0.3°
C14C15C16C17180.0°179.6°
C15C9C8C70.1°0.2°
C9C15C16O7179.9°179.8°
C9C15C16C170.1°0.3°
C15C9C8H6179.9°179.8°
C15C9C10H7179.8°167.8°
C8C9C15C160.2°0.3°
C9C8C7H6180.0°180.0°
C9C8C7C170.0°0.1°
C9C8C7C6179.9°180.0°
C8C9C10H70.0°12.0°
C15C16O7C17179.9°179.9°
C15C16C17C70.1°0.2°
C15C16C17C18179.9°179.7°
C15C16O7H110.0°90.0°
C8C7C17C160.1°0.1°
C8C7C17C6180.0°179.9°
C8C7C17C18179.9°179.8°
C8C7C6C5180.0°179.9°
C8C7C6H50.0°0.2°
O7C16C17C7180.0°179.9°
O7C16C17C180.2°0.2°
C16C17C7C18179.9°179.9°
C16C17C7C6180.0°180.0°
C16C17C18O80.2°0.2°
C16C17C18C20180.0°179.9°
C17C16O7H11179.9°90.0°
C17C7C6C50.1°0.1°
C7C17C18O8180.0°179.9°
C7C17C18C200.1°0.0°
C17C7C6H5179.9°179.9°
C17C7C8H6180.0°179.9°
C6C7C17C180.1°0.1°
C7C6C5H5180.0°180.0°
C7C6C5C200.0°0.0°
C7C6C5C4180.0°180.0°
C6C7C8H60.1°0.0°
C17C18O8C20179.9°179.9°
C17C18O8C1998.0°91.8°
C17C18C20C50.1°0.1°
C17C18C20C21179.9°179.8°
C6C5C20C180.0°0.1°
C6C5C20C4180.0°180.0°
C6C5C20C21179.9°179.8°
C6C5C4C3180.0°179.8°
C6C5C4H40.0°0.1°
O8C18C20C5179.9°179.8°
O8C18C20C210.0°0.3°
C18O8C19H12180.0°54.7°
C18O8C19H1360.0°65.3°
C18O8C19H1460.0°174.8°
C20C18O8C1981.9°88.1°
C18C20C5C21179.9°179.9°
C18C20C5C4180.0°179.9°
C18C20C21O90.0°0.0°
C18C20C21C23180.0°180.0°
O8C19H12H13120.0°120.0°
O8C19H12H14120.0°120.1°
O8C19H13H14120.0°120.0°
C20C5C4C30.1°0.3°
C5C20C21O9180.0°179.9°
C5C20C21C230.0°0.1°
C20C5C4H4179.9°179.9°
C20C5C6H5180.0°180.0°
C4C5C20C210.0°0.2°
C5C4C3H4180.0°179.9°
C5C4C3C230.1°0.2°
C5C4C3C2180.0°179.9°
C4C5C6H50.0°0.0°
C20C21O9C23180.0°180.0°
C20C21O9C2290.1°92.2°
C20C21C23C30.0°0.0°
C20C21C23C24179.9°179.7°
C4C3C23C210.1°0.1°
C4C3C23C2179.9°179.7°
C4C3C23C24180.0°179.7°
C4C3C2C1119.9°93.2°
C4C3C2H2119.5°146.8°
C4C3C2H30.7°26.7°
O9C21C23C3180.0°180.0°
O9C21C23C240.1°0.3°
C21O9C22H15180.0°175.0°
C21O9C22H1660.0°55.0°
C21O9C22H1760.0°64.9°
C23C21O9C2289.8°87.8°
C21C23C3C24179.9°179.7°
C21C23C3C2180.0°179.7°
C21C23C24O1074.5°86.1°
C21C23C24C25103.9°93.9°
O9C22H15H16120.0°120.0°
O9C22H15H17120.0°120.0°
O9C22H16H17120.0°120.0°
C23C3C2C160.3°86.5°
C3C23C24O10105.4°93.7°
C3C23C24C2576.2°86.4°
C23C3C2H260.3°33.5°
C23C3C2H3179.1°153.6°
C23C3C4H4179.9°179.9°
C2C3C23C240.1°0.0°
C3C2C1O22.2°0.0°
C3C2C1H2120.6°120.0°
C3C2C1H3120.6°119.9°
C3C2C1O1177.9°180.0°
C3C2H2H3118.2°120.0°
C2C3C4H40.0°0.2°
C23C24O10C25178.3°179.9°
C23C24C25C26179.7°175.5°
C23C24C25H180.3°4.4°
O2C1C2O1179.9°180.0°
O2C1O1H10.0°0.0°
O2C1C2H2122.8°120.0°
O2C1C2H3118.4°120.0°
C2C1O1H1179.9°180.0°
C1C2H2H3118.2°120.0°
O10C24C25C261.3°4.6°
O10C24C25H18178.7°175.5°
O1C1C2H257.3°60.0°
O1C1C2H361.5°60.1°
C24C25C26H18180.0°179.9°
C24C25C26O111.8°5.6°
C24C25C26C27179.7°174.3°
C25C26O11C27178.5°180.0°
C25C26C27C322.8°124.3°
C25C26C27C28177.2°56.0°
C25C26O11H192.1°180.0°
O11C26C27C32175.8°55.8°
O11C26C27C284.2°123.9°
O11C26C25H18178.2°174.3°
C26C27C32O120.0°0.0°
C26C27C32C28180.0°179.7°
C26C27C32C31179.9°179.7°
C26C27C28C29179.9°180.0°
C27C26C25H180.2°5.7°
C27C26O11H19179.3°0.0°
C26C27C28H200.1°0.0°
O12C32C27C31179.9°179.7°
O12C32C27C28180.0°179.7°
O12C32C31C30180.0°179.7°
O12C32C31H230.0°0.0°
C32C27C28C290.1°0.3°
C27C32C31C300.1°0.6°
C32C27C28H20179.9°179.7°
C27C32C31H23179.9°179.8°
C27C32O12H24180.0°95.0°
C28C27C32C310.0°0.6°
C27C28C29H20180.0°179.9°
C27C28C29C300.1°0.1°
C27C28C29H21179.9°180.0°
C32C31C30H23180.0°179.6°
C32C31C30C290.0°0.3°
C32C31C30H22180.0°179.7°
C31C32O12H240.1°84.7°
C28C29C30C310.1°0.1°
C28C29C30H21180.0°179.9°
C28C29C30H22179.9°180.0°
C31C30C29H22180.0°179.9°
C31C30C29H21179.9°180.0°
C30C29C28H20179.8°180.0°
C29C30C31H23180.0°180.0°
H8C13H9H10120.0°120.0°
H12C19H13H14120.0°120.0°
H15C22H16H17120.0°120.0°
H20C28C29H210.2°0.1°
H21C29C30H220.1°0.1°
H22C30C31H230.0°0.1°

222926

PDB entries from 2024-07-24

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