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768

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C16sing1.43Å1.43Å
C16C17sing1.53Å1.54Å
C16C15sing1.53Å1.53Å
C17O2sing1.43Å1.43Å
O2C18sing1.36Å1.38Å
C18C19doub1.39Å1.39ÅAromatic
C18C23sing1.39Å1.50ÅAromatic
C19C20sing1.38Å1.40ÅAromatic
C20C21doub1.38Å1.41ÅAromatic
C21CL1sing1.74Å1.50Å
C21C22sing1.38Å1.40ÅAromatic
C22C23doub1.38Å1.37ÅAromatic
C23CL2sing1.74Å1.49Å
C15N3sing1.46Å1.47Å
N3C14sing1.37Å1.28Å
N3C13sing1.39Å1.32Å
C14N4doub1.31Å1.36Å
C14N2sing1.37Å1.36Å
C13C12doub1.39Å1.38ÅAromatic
C13C8sing1.40Å1.49ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C11C10doub1.38Å1.40ÅAromatic
C10C9sing1.38Å1.40ÅAromatic
C9C8doub1.39Å1.39ÅAromatic
C8N2sing1.39Å1.33Å
N2C7sing1.47Å1.45Å
C7C6sing1.53Å1.52Å
C6N1sing1.47Å1.45Å
N1C5sing1.47Å1.46Å
N1C1sing1.47Å1.47Å
C5C4sing1.53Å1.53Å
C4C3sing1.53Å1.53Å
C3C2sing1.53Å1.54Å
C2C1sing1.53Å1.53Å
O1HO1sing0.97Å0.95Å
C16H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
N4HN4sing0.97Å1.00Å
C12H12sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C16C17109.8°109.5°
O1C16C15103.8°109.5°
C16O1HO1109.5°114.0°
O1C16H16114.6°109.5°
C17C16C15114.1°109.5°
C16C17O2112.7°109.4°
C17C16H16104.4°109.5°
C16C17H17108.4°109.5°
C16C17H17A107.7°109.5°
C16C15N3104.3°109.5°
C15C16H16110.4°109.4°
C16C15H15111.2°109.5°
C16C15H15A112.4°109.5°
C17O2C18125.4°117.0°
O2C17H17108.4°109.5°
O2C17H17A107.7°109.5°
O2C18C19121.1°120.1°
O2C18C23120.0°120.0°
C19C18C23118.7°119.9°
C18C19C20119.6°120.0°
C18C19H19120.2°120.0°
C18C23C22120.0°119.9°
C18C23CL2122.5°120.0°
C19C20C21120.6°120.0°
C20C19H19120.2°120.0°
C19C20H20119.7°120.0°
C20C21CL1121.6°120.0°
C20C21C22121.9°120.1°
C21C20H20119.7°120.0°
CL1C21C22116.5°119.9°
C21C22C23119.0°120.0°
C21C22H22120.5°120.0°
C22C23CL2117.5°120.0°
C23C22H22120.5°120.0°
C15N3C14129.3°125.9°
C15N3C13125.0°125.9°
N3C15H15111.2°109.5°
N3C15H15A112.3°109.4°
C14N3C13105.6°108.2°
N3C14N4117.5°125.6°
N3C14N2116.4°108.8°
N3C13C12132.4°132.7°
N3C13C8107.7°107.4°
N4C14N2126.0°125.6°
C14N4HN4110.4°120.0°
C14N2C8104.5°108.2°
C14N2C7129.9°125.9°
C12C13C8119.8°119.9°
C13C12C11119.9°119.9°
C13C12H12120.0°120.0°
C13C8C9118.8°119.8°
C13C8N2105.7°107.4°
C12C11C10120.6°120.3°
C11C12H12120.1°120.1°
C12C11H11119.7°119.9°
C11C10C9121.7°120.2°
C10C11H11119.7°119.8°
C11C10H10119.2°119.9°
C10C9C8119.3°119.9°
C9C10H10119.1°119.9°
C10C9H9120.4°120.1°
C9C8N2135.6°132.8°
C8C9H9120.4°120.0°
C8N2C7125.5°125.9°
N2C7C6114.4°109.5°
N2C7H7107.9°109.5°
N2C7H7A106.7°109.4°
C7C6N1106.8°109.5°
C6C7H7107.8°109.5°
C6C7H7A106.8°109.4°
C7C6H6110.4°109.5°
C7C6H6A111.0°109.4°
C6N1C5121.3°111.0°
C6N1C1122.0°111.0°
N1C6H6110.4°109.5°
N1C6H6A111.0°109.4°
C5N1C1116.7°111.2°
N1C5C4100.5°109.5°
N1C5H5112.6°109.5°
N1C5H5A114.4°109.5°
N1C1C2100.9°109.5°
N1C1H1112.4°109.4°
N1C1H1A114.2°109.5°
C5C4C3112.5°109.3°
C4C5H5112.5°109.4°
C4C5H5A114.4°109.5°
C5C4H4108.5°109.4°
C5C4H4A107.8°109.5°
C4C3C2115.3°109.2°
C3C4H4108.5°109.6°
C3C4H4A107.8°109.5°
C4C3H3107.5°109.5°
C4C3H3A106.2°109.5°
C3C2C1112.6°109.3°
C2C3H3107.6°109.5°
C2C3H3A106.2°109.5°
C3C2H2108.4°109.5°
C3C2H2A107.7°109.5°
C1C2H2108.5°109.5°
C1C2H2A107.8°109.5°
C2C1H1112.5°109.5°
C2C1H1A114.2°109.5°
H17C17H17A112.0°109.5°
H15C15H15A105.5°109.4°
H7C7H7A113.4°109.5°
H6C6H6A107.4°109.5°
H5C5H5A102.8°109.4°
H4C4H4A111.9°109.5°
H3C3H3A114.2°109.6°
H2C2H2A111.9°109.5°
H1C1H1A103.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C16C17C15116.0°120.0°
O1C16C17H16123.4°120.0°
O1C16C15H16123.3°119.9°
O1C16C17O2147.9°65.0°
O1C16C15N381.2°65.0°
O1C16C17H1792.1°55.0°
O1C16C17H17A29.3°175.0°
O1C16C15H15158.8°175.0°
O1C16C15H15A40.8°55.0°
C17C16C15H16117.2°120.0°
C16C17O2H17120.0°120.0°
C16C17O2H17A118.6°120.0°
C16C17O2C18126.7°180.0°
C17C16C15N3159.3°175.0°
C17C16O1HO174.0°60.0°
C16C17H17H17A118.7°120.0°
C17C16C15H1539.3°54.9°
C17C16C15H15A78.7°65.0°
C15C16C17O231.9°175.0°
C16C15N3H15120.0°120.0°
C16C15N3H15A121.9°120.0°
C16C15N3C1498.8°90.0°
C16C15N3C1376.3°90.3°
C15C16O1HO1163.6°60.0°
C15C16C17H17151.9°65.0°
C15C16C17H17A86.7°55.0°
C16C15H15H15A122.1°120.0°
C17O2C18C1973.6°0.1°
C17O2C18C23110.7°179.7°
O2C17C16H1688.7°55.0°
O2C17H17H17A118.7°120.0°
O2C18C19C23175.8°179.7°
O2C18C19C20178.3°180.0°
O2C18C23C22179.3°179.8°
O2C18C23CL24.1°0.0°
C18O2C17H176.7°60.0°
C18O2C17H17A114.7°60.1°
O2C18C19H191.7°0.1°
C18C19C20H19180.0°179.9°
C18C19C20C211.0°0.0°
C19C18C23C223.5°0.5°
C19C18C23CL2179.9°179.7°
C18C19C20H20179.0°179.9°
C23C18C19C202.6°0.3°
C18C23C22C212.7°0.5°
C18C23C22CL2176.7°179.8°
C23C18C19H19177.5°179.8°
C18C23C22H22177.3°179.8°
C19C20C21H20180.0°179.9°
C19C20C21CL1179.2°180.0°
C19C20C21C220.2°0.0°
C20C21CL1C22179.1°180.0°
C20C21C22C231.1°0.2°
C21C20C19H19179.1°179.9°
C20C21C22H22178.9°180.0°
CL1C21C22C23179.8°179.8°
CL1C21C20H200.8°0.1°
CL1C21C22H220.2°0.0°
C21C22C23H22180.0°179.8°
C21C22C23CL2179.5°179.7°
C22C21C20H20179.8°180.0°
CL2C23C22H220.5°0.0°
C15N3C14C13175.8°179.8°
C15N3C14N41.9°0.0°
C15N3C14N2176.0°180.0°
C15N3C13C125.0°0.0°
C15N3C13C8178.0°180.0°
N3C15C16H1642.1°55.0°
N3C15H15H15A122.1°119.9°
N3C14N4N2177.7°180.0°
C14N3C13C12178.9°179.8°
C14N3C13C81.9°0.2°
N3C14N2C81.7°0.1°
N3C14N2C7178.6°180.0°
C14N3C15H15141.2°30.0°
C14N3C15H15A23.1°150.0°
N3C14N4HN4180.0°180.0°
C13N3C14N4177.7°179.7°
C13N3C14N20.2°0.2°
N3C13C12C8176.7°180.0°
N3C13C12C11177.5°180.0°
N3C13C8C9178.4°180.0°
N3C13C8N23.0°0.1°
C13N3C15H1543.7°149.7°
C13N3C15H15A161.8°29.8°
N3C13C12H122.6°0.1°
N4C14N2C8179.4°179.8°
N4C14N2C73.7°0.0°
C14N2C8C132.7°0.0°
C14N2C8C9179.1°179.8°
C14N2C8C7177.0°179.9°
C14N2C7C62.6°90.0°
N2C14N4HN42.3°0.0°
C14N2C7H7122.6°150.0°
C14N2C7H7A115.2°30.0°
C13C12C11H12180.0°179.9°
C13C12C11C100.3°0.1°
C12C13C8C91.0°0.1°
C12C13C8N2179.6°179.9°
C13C12C11H11179.6°180.0°
C8C13C12C110.8°0.1°
C13C8C9C100.7°0.0°
C13C8C9N2178.1°179.8°
C13C8N2C7179.7°179.8°
C8C13C12H12179.3°179.9°
C13C8C9H9179.2°180.0°
C12C11C10H11180.0°179.9°
C12C11C10C90.1°0.0°
C12C11C10H10179.9°180.0°
C11C10C9H10180.0°180.0°
C11C10C9C80.3°0.0°
C10C11C12H12179.7°179.9°
C11C10C9H9179.6°180.0°
C10C9C8H9180.0°180.0°
C10C9C8N2178.8°179.8°
C9C10C11H11179.9°179.9°
C9C8N2C72.1°0.1°
C8C9C10H10179.6°180.0°
C8N2C7C6178.9°89.8°
N2C8C9H91.1°0.2°
C8N2C7H761.2°30.2°
C8N2C7H7A61.0°150.2°
N2C7C6H7120.0°120.0°
N2C7C6H7A117.8°120.0°
N2C7C6N192.9°180.0°
N2C7H7H7A118.0°120.0°
N2C7C6H6147.1°60.0°
N2C7C6H6A28.2°60.0°
C7C6N1H6120.0°120.1°
C7C6N1H6A121.1°119.9°
C7C6N1C550.2°170.0°
C7C6N1C1129.5°45.9°
C6C7H7H7A118.0°120.0°
C7C6H6H6A121.1°120.0°
C6N1C5C1179.7°124.0°
C6N1C5C4102.9°174.2°
C6N1C1C2103.7°174.2°
N1C6C7H727.1°59.9°
N1C6C7H7A149.3°60.1°
N1C6H6H6A121.1°119.9°
C6N1C5H5137.1°65.8°
C6N1C5H5A20.2°54.2°
C6N1C1H116.3°54.2°
C6N1C1H1A133.3°65.8°
N1C5C4H5120.0°120.0°
N1C5C4H5A123.1°120.0°
N1C5C4C353.2°59.2°
C5N1C1C276.0°61.8°
C5N1C6H6170.2°49.9°
C5N1C6H6A70.9°70.0°
N1C5H5H5A123.6°120.0°
N1C5C4H4173.2°179.2°
N1C5C4H4A65.5°60.8°
C5N1C1H1164.0°178.2°
C5N1C1H1A47.0°58.2°
C1N1C5C476.8°61.8°
N1C1C2C351.3°59.2°
N1C1C2H1120.0°120.0°
N1C1C2H1A123.0°120.0°
C1N1C6H69.5°74.2°
C1N1C6H6A109.4°165.8°
C1N1C5H543.2°58.2°
C1N1C5H5A160.1°178.2°
N1C1C2H2171.3°179.2°
N1C1C2H2A67.4°60.7°
N1C1H1H1A123.5°120.0°
C5C4C3H4120.0°119.9°
C5C4C3H4A118.7°119.9°
C5C4C3C243.7°57.6°
C4C5H5H5A123.6°120.0°
C5C4H4H4A118.8°120.0°
C5C4C3H376.3°62.2°
C5C4C3H3A161.1°177.5°
C4C3C2H3120.0°119.9°
C4C3C2H3A117.4°119.9°
C4C3C2C142.8°57.7°
C3C4C5H566.8°60.8°
C3C4C5H5A176.3°179.2°
C3C4H4H4A118.8°120.2°
C4C3H3H3A117.6°120.2°
C4C3C2H2162.8°177.6°
C4C3C2H2A75.9°62.3°
C3C2C1H2120.0°120.0°
C3C2C1H2A118.7°120.0°
C2C3C4H4163.7°177.6°
C2C3C4H4A75.0°62.3°
C2C3H3H3A117.6°120.2°
C3C2H2H2A118.7°120.1°
C3C2C1H1171.3°179.2°
C3C2C1H1A71.8°60.8°
C1C2C3H377.2°62.2°
C1C2C3H3A160.2°177.5°
C1C2H2H2A118.7°120.1°
C2C1H1H1A123.5°120.0°
HO1O1C16H1643.2°179.9°
H16C16C17H1731.3°175.0°
H16C16C17H17A152.7°65.0°
H16C16C15H1577.9°65.1°
H16C16C15H15A164.1°175.0°
H19C19C20H201.0°0.0°
H12C12C11H110.4°0.2°
H11C11C10H100.2°0.0°
H10C10C9H90.4°0.0°
H7C7C6H692.9°180.0°
H7C7C6H6A148.2°60.0°
H7AC7C6H629.3°60.0°
H7AC7C6H6A89.7°180.0°
H5C5C4H453.2°59.2°
H5C5C4H4A174.5°179.2°
H5AC5C4H463.7°60.8°
H5AC5C4H4A57.6°59.2°
H4C4C3H343.7°57.7°
H4C4C3H3A78.9°62.5°
H4AC4C3H3165.0°177.8°
H4AC4C3H3A42.4°57.6°
H3C3C2H242.8°57.7°
H3C3C2H2A164.1°177.8°
H3AC3C2H279.8°62.5°
H3AC3C2H2A41.5°57.6°
H2C2C1H168.7°60.8°
H2C2C1H1A48.2°59.1°
H2AC2C1H152.6°59.2°
H2AC2C1H1A169.6°179.2°

223532

PDB entries from 2024-08-07

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