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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C25doub1.22Å1.23Å
C25N3sing1.35Å1.38Å
C25C1sing1.42Å1.45Å
N3C24sing1.35Å1.37Å
CC1sing1.51Å1.50Å
C1C2doub1.35Å1.34Å
C24O1doub1.22Å1.22Å
C24Nsing1.35Å1.38Å
C2Nsing1.37Å1.38Å
NC3sing1.46Å1.48Å
C4C3sing1.53Å1.52Å
C4C5sing1.53Å1.52Å
C3C23sing1.53Å1.52Å
C5N1sing1.47Å1.47Å
C23C22sing1.53Å1.53Å
N1C22sing1.47Å1.47Å
N1C6sing1.47Å1.47Å
C6C7sing1.51Å1.51Å
C7N2doub1.31Å1.33ÅAromatic
C7C8sing1.39Å1.39ÅAromatic
N2C21sing1.34Å1.37ÅAromatic
C8C9doub1.38Å1.38ÅAromatic
C21C20doub1.41Å1.42ÅAromatic
C21C16sing1.42Å1.41ÅAromatic
C20C19sing1.36Å1.37ÅAromatic
C9C16sing1.41Å1.42ÅAromatic
C9Osing1.36Å1.40Å
C11C12doub1.38Å1.38ÅAromatic
C11C10sing1.39Å1.39ÅAromatic
C12C13sing1.38Å1.38ÅAromatic
C16C17doub1.40Å1.42ÅAromatic
OC10sing1.36Å1.40Å
C10C15doub1.39Å1.39ÅAromatic
C19C18doub1.39Å1.38ÅAromatic
C13C14doub1.38Å1.38ÅAromatic
C17C18sing1.36Å1.36ÅAromatic
C15C14sing1.38Å1.38ÅAromatic
C14CLsing1.74Å1.74Å
CH2sing1.09Å1.10Å
CH1sing1.09Å1.10Å
CH3sing1.09Å1.10Å
N3Hsing0.97Å1.00Å
C2H4sing1.08Å1.08Å
C3H5sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C20H20sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C8H12sing1.08Å1.08Å
C15H16sing1.08Å1.08Å
C13H15sing1.08Å1.08Å
C12H14sing1.08Å1.08Å
C11H13sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C25N3120.0°120.3°
O2C25C1124.9°120.3°
N3C25C1115.1°119.4°
C25N3C24127.3°120.3°
C25N3H116.4°119.9°
C25C1C118.7°120.5°
C25C1C2118.1°119.1°
N3C24O1122.5°119.6°
N3C24N114.7°120.9°
C24N3H116.4°119.8°
CC1C2123.2°120.5°
C1CH2109.5°109.5°
C1CH1109.4°109.5°
C1CH3109.5°109.5°
C1C2N123.6°119.7°
C1C2H4118.2°120.1°
O1C24N122.8°119.5°
C24NC2121.2°120.6°
C24NC3117.7°119.7°
C2NC3121.0°119.7°
NC2H4118.2°120.1°
NC3C4111.8°109.5°
NC3C23111.8°109.5°
NC3H5108.2°109.6°
C3C4C5109.7°109.3°
C4C3C23109.4°109.1°
C4C3H5107.7°109.6°
C3C4H7109.4°109.5°
C3C4H6109.4°109.5°
C4C5N1111.5°109.5°
C4C5H9108.9°109.5°
C4C5H8109.0°109.4°
C5C4H7109.4°109.5°
C5C4H6109.4°109.6°
C3C23C22109.9°109.3°
C23C3H5107.7°109.5°
C3C23H24109.4°109.5°
C3C23H23109.3°109.4°
C5N1C22109.7°111.2°
C5N1C6110.4°111.0°
N1C5H9109.0°109.5°
N1C5H8108.9°109.5°
C23C22N1111.5°109.5°
C22C23H24109.4°109.5°
C22C23H23109.4°109.5°
C23C22H21108.9°109.4°
C23C22H22108.9°109.5°
C22N1C6110.9°111.0°
N1C22H21109.0°109.4°
N1C22H22109.0°109.4°
N1C6C7113.6°109.5°
N1C6H11108.5°109.4°
N1C6H10108.5°109.5°
C6C7N2116.7°119.1°
C6C7C8119.3°119.1°
C7C6H11108.4°109.5°
C7C6H10108.4°109.5°
N2C7C8124.0°121.8°
C7N2C21117.9°121.6°
C7C8C9118.6°119.7°
C7C8H12120.7°120.1°
N2C21C20118.7°121.0°
N2C21C16122.3°120.0°
C8C9C16119.8°117.9°
C8C9O125.1°121.0°
C9C8H12120.7°120.2°
C20C21C16118.9°119.0°
C21C20C19120.3°119.8°
C21C20H20119.8°120.1°
C21C16C9117.3°119.0°
C21C16C17118.7°119.7°
C20C19C18120.8°121.0°
C19C20H20119.9°120.1°
C20C19H19119.6°119.5°
C16C9O114.9°121.1°
C9C16C17124.0°121.3°
C9OC10119.2°118.0°
C12C11C10119.2°119.9°
C11C12C13120.7°120.1°
C11C12H14119.7°119.9°
C12C11H13120.4°120.1°
C11C10O124.2°120.0°
C11C10C15121.0°119.9°
C10C11H13120.4°120.0°
C12C13C14118.8°120.1°
C12C13H15120.6°119.9°
C13C12H14119.7°120.0°
C16C17C18120.8°119.6°
C16C17H17119.6°120.2°
OC10C15114.8°120.1°
C10C15C14118.3°120.0°
C10C15H16120.8°120.0°
C19C18C17120.5°120.9°
C18C19H19119.6°119.5°
C19C18H18119.7°119.6°
C13C14C15122.0°120.0°
C13C14CL119.2°120.0°
C14C13H15120.6°119.9°
C17C18H18119.8°119.5°
C18C17H17119.6°120.3°
C15C14CL118.8°120.0°
C14C15H16120.8°120.0°
H2CH1109.5°109.4°
H2CH3109.4°109.4°
H1CH3109.5°109.5°
H24C23H23109.5°109.6°
H21C22H22109.5°109.5°
H9C5H8109.5°109.5°
H7C4H6109.5°109.4°
H11C6H10109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C25N3C1179.6°179.8°
O2C25N3C24179.1°180.0°
O2C25C1C1.5°0.0°
O2C25C1C2178.8°180.0°
O2C25N3H0.9°0.1°
C25N3C24H180.0°179.9°
N3C25C1C178.9°179.8°
N3C25C1C20.7°0.2°
C25N3C24O1179.0°180.0°
C25N3C24N0.4°0.2°
C1C25N3C240.5°0.2°
C25C1CC2179.7°179.9°
C25C1C2N0.1°0.1°
C25C1CH2180.0°0.0°
C25C1CH160.0°119.9°
C25C1CH360.0°119.9°
C1C25N3H179.5°179.7°
C25C1C2H4180.0°179.9°
N3C24O1N179.3°179.9°
N3C24NC21.1°0.4°
N3C24NC3176.4°180.0°
CC1C2N179.6°180.0°
C1CH2H1120.0°120.0°
C1CH2H3120.0°120.0°
C1CH1H3120.0°120.1°
CC1C2H40.4°0.1°
C1C2NC240.9°0.4°
C1C2NH4180.0°179.8°
C1C2NC3176.5°180.0°
C2C1CH20.3°179.9°
C2C1CH1120.3°60.0°
C2C1CH3119.6°60.1°
O1C24NC2178.3°179.7°
O1C24NC34.2°0.1°
O1C24N3H1.0°0.1°
C24NC2C3177.4°179.6°
C24NC3C4158.3°59.6°
C24NC3C2378.7°60.0°
NC24N3H179.6°180.0°
C24NC2H4179.1°179.8°
C24NC3H539.7°179.8°
C2NC3C419.3°120.0°
C2NC3C23103.7°120.4°
C2NC3H5137.8°0.2°
NC3C4C23124.4°119.9°
NC3C4H5118.8°120.2°
NC3C4C5178.9°177.5°
NC3C23H5118.8°120.2°
NC3C23C22179.1°177.6°
C3NC2H43.5°0.2°
NC3C23H2460.8°57.6°
NC3C23H2359.1°62.5°
NC3C4H758.8°62.5°
NC3C4H661.1°57.5°
C3C4C5H7120.0°119.9°
C3C4C5H6120.1°120.0°
C4C3C23H5116.8°120.0°
C3C4C5N158.8°59.2°
C4C3C23C2256.5°57.7°
C4C3C23H2463.6°62.3°
C4C3C23H23176.5°177.6°
C3C4C5H961.5°179.2°
C3C4C5H8179.1°60.8°
C3C4H7H6119.9°120.1°
C5C4C3C2356.8°57.7°
C4C5N1H9120.3°120.0°
C4C5N1H8120.3°120.0°
C4C5N1C2259.1°61.7°
C4C5N1C6178.4°174.2°
C5C4C3H560.1°62.2°
C4C5H9H8119.1°120.0°
C5C4H7H6119.9°120.1°
C3C23C22H24120.1°119.9°
C3C23C22H23120.1°119.9°
C3C23C22N158.0°59.2°
C3C23H24H23119.8°120.0°
C3C23C22H21178.3°179.2°
C3C23C22H2262.3°60.8°
C23C3C4H7176.8°177.6°
C23C3C4H663.3°62.4°
C5N1C22C2358.6°61.8°
C5N1C22C6122.2°124.1°
C5N1C6C7171.1°65.8°
C5N1C22H21178.9°178.3°
C5N1C22H2261.7°58.3°
N1C5H9H8119.1°120.0°
N1C5C4H7178.8°179.1°
N1C5C4H661.3°60.8°
C5N1C6H1168.3°174.2°
C5N1C6H1050.5°54.2°
C23C22N1H21120.3°120.0°
C23C22N1H22120.3°120.0°
C23C22N1C6179.2°174.2°
C22C23C3H560.4°62.3°
C22C23H24H23119.8°120.2°
C23C22H21H22119.0°120.0°
C22N1C6C767.1°170.0°
N1C22C23H2462.0°60.7°
N1C22C23H23178.1°179.1°
N1C22H21H22119.1°119.9°
C22N1C5H961.2°178.3°
C22N1C5H8179.4°58.3°
C22N1C6H1153.5°50.0°
C22N1C6H10172.3°70.0°
N1C6C7H11120.6°119.9°
N1C6C7H10120.6°120.0°
N1C6C7N2129.3°85.1°
N1C6C7C850.5°94.7°
C6N1C22H2158.9°54.2°
C6N1C22H2260.5°65.8°
C6N1C5H961.3°54.1°
C6N1C5H858.1°65.8°
N1C6H11H10118.1°120.0°
C6C7N2C8179.8°179.8°
C6C7N2C21179.9°180.0°
C6C7C8C9179.6°179.7°
C7C6H11H10118.1°120.0°
C6C7C8H120.4°0.0°
N2C7C8C90.2°0.5°
C7N2C21C20179.5°179.9°
C7N2C21C160.1°0.0°
N2C7C6H118.6°155.0°
N2C7C6H10110.1°35.0°
N2C7C8H12179.8°179.8°
C8C7N2C210.3°0.2°
C7C8C9H12180.0°179.7°
C7C8C9C161.1°0.5°
C7C8C9O173.4°179.8°
C8C7C6H11171.2°25.2°
C8C7C6H1070.1°145.2°
N2C21C20C16179.6°179.9°
N2C21C20C19179.9°180.0°
N2C21C16C91.0°0.1°
N2C21C16C17179.6°180.0°
N2C21C20H200.1°0.1°
C8C9C16C211.4°0.3°
C8C9C16O175.1°179.7°
C8C9C16C17179.1°179.7°
C8C9OC1054.3°0.3°
C21C20C19H20180.0°180.0°
C20C21C16C9178.7°180.0°
C20C21C16C170.8°0.0°
C21C20C19C180.1°0.0°
C21C20C19H19179.9°180.0°
C16C21C20C190.5°0.0°
C21C16C9C17179.5°180.0°
C21C16C9O173.6°180.0°
C21C16C17C180.6°0.0°
C16C21C20H20179.5°180.0°
C21C16C17H17179.4°179.9°
C20C19C18H19180.0°180.0°
C20C19C18C170.3°0.0°
C20C19C18H18179.7°180.0°
C16C9OC10131.0°180.0°
C9C16C17C18178.9°180.0°
C9C16C17H171.1°0.0°
C16C9C8H12178.9°179.7°
C9OC10C118.2°90.3°
OC9C16C175.8°0.0°
C9OC10C15172.5°90.1°
OC9C8H126.5°0.1°
C12C11C10H13180.0°179.5°
C11C12C13H14180.0°179.7°
C12C11C10O179.0°179.8°
C12C11C10C150.2°0.5°
C11C12C13C140.1°0.3°
C11C12C13H15179.9°179.7°
C10C11C12C130.0°0.5°
C11C10OC15179.3°179.6°
C11C10C15C140.4°0.3°
C11C10C15H16179.5°179.8°
C10C11C12H14180.0°179.8°
C12C13C14H15180.0°180.0°
C12C13C14C150.1°0.1°
C12C13C14CL179.8°180.0°
C13C12C11H13180.0°180.0°
C16C17C18C190.0°0.0°
C16C17C18H17180.0°180.0°
C16C17C18H18180.0°180.0°
OC10C15C14178.9°179.9°
OC10C15H161.1°0.1°
OC10C11H131.0°0.4°
C10C15C14C130.3°0.1°
C10C15C14H16180.0°179.9°
C10C15C14CL179.6°180.0°
C15C10C11H13179.7°180.0°
C19C18C17H18180.0°180.0°
C18C19C20H20179.9°180.0°
C19C18C17H17180.0°179.9°
C13C14C15CL179.9°179.9°
C13C14C15H16179.6°180.0°
C14C13C12H14179.9°180.0°
C17C18C19H19179.7°180.0°
C15C14C13H15179.9°180.0°
CLC14C15H160.5°0.1°
CLC14C13H150.2°0.0°
H2CH1H3120.0°119.9°
H5C3C23H24179.6°177.8°
H5C3C23H2359.7°57.6°
H5C3C4H760.0°57.7°
H5C3C4H6179.9°177.7°
H24C23C22H2158.3°59.2°
H24C23C22H22177.7°179.3°
H23C23C22H2161.6°61.0°
H23C23C22H2257.8°59.1°
H9C5C4H758.5°60.8°
H9C5C4H6178.4°59.2°
H8C5C4H760.9°59.1°
H8C5C4H659.0°179.2°
H20C20C19H190.0°0.0°
H19C19C18H180.3°0.0°
H18C18C17H170.0°0.0°
H15C13C12H140.1°0.1°
H14C12C11H130.0°0.3°

223790

PDB entries from 2024-08-14

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