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KG2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.51Å
C2N1sing1.46Å1.51Å
C2C3sing1.55Å1.52Å
N1C6sing1.47Å1.51Å
N1C22sing1.46Å1.52Å
C3C4sing1.53Å1.54Å
C6C5sing1.53Å1.52Å
O3C9sing1.43Å1.43Å
C22C7sing1.53Å1.53Å
C21C20doub1.38Å1.39ÅAromatic
C21C16sing1.38Å1.39ÅAromatic
C5C4sing1.54Å1.53Å
C20C19sing1.38Å1.38ÅAromatic
C4C7sing1.53Å1.54Å
O1C7sing1.45Å1.46Å
O1C8sing1.34Å1.34Å
C9C10sing1.51Å1.55Å
C9C16sing1.51Å1.54Å
C9C8sing1.51Å1.56Å
C10C15doub1.38Å1.39ÅAromatic
C10C11sing1.38Å1.39ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C15C14sing1.38Å1.39ÅAromatic
C11C12doub1.38Å1.39ÅAromatic
C14C13doub1.38Å1.37ÅAromatic
C12C13sing1.38Å1.38ÅAromatic
C19C18doub1.38Å1.38ÅAromatic
C8O2doub1.21Å1.20Å
C17C18sing1.38Å1.39ÅAromatic
C4H1sing1.09Å1.10Å
C14H2sing1.08Å1.08Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C11H7sing1.08Å1.08Å
C7H8sing1.09Å1.10Å
C12H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C3H11sing1.09Å1.10Å
C3H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C2H16sing1.09Å1.10Å
C2H17sing1.09Å1.10Å
O3H18sing0.97Å0.95Å
C15H19sing1.08Å1.08Å
C17H20sing1.08Å1.08Å
C18H21sing1.08Å1.08Å
C19H22sing1.08Å1.08Å
C20H23sing1.08Å1.08Å
C21H24sing1.08Å1.08Å
C22H25sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1C2110.1°108.0°
C1N1C6111.0°108.4°
C1N1C22109.2°108.5°
N1C1H13109.5°109.5°
N1C1H14109.4°109.5°
N1C1H15109.5°109.5°
N1C2C3108.3°110.3°
C2N1C6108.1°110.6°
C2N1C22109.5°110.6°
N1C2H16109.7°109.4°
N1C2H17109.8°109.4°
C2C3C4108.4°107.8°
C2C3H11109.7°109.3°
C2C3H12109.7°111.0°
C3C2H16109.8°108.9°
C3C2H17109.7°109.6°
C6N1C22108.9°110.6°
N1C6C5109.3°110.0°
N1C6H5109.5°109.4°
N1C6H6109.5°109.3°
N1C22C7109.8°110.1°
N1C22H25109.4°109.4°
N1C22H26109.4°109.4°
C3C4C5107.7°109.2°
C3C4C7110.3°108.4°
C3C4H1110.1°110.3°
C4C3H11109.8°109.6°
C4C3H12109.8°109.5°
C6C5C4107.4°108.8°
C6C5H3110.0°109.6°
C6C5H4110.0°109.7°
C5C6H5109.5°109.4°
C5C6H6109.5°109.4°
O3C9C10105.7°109.4°
O3C9C16103.1°109.5°
O3C9C8107.7°109.5°
C9O3H18109.5°114.0°
C22C7C4107.0°108.8°
C22C7O1106.7°109.7°
C22C7H8109.2°109.6°
C7C22H25109.4°109.4°
C7C22H26109.4°109.3°
C20C21C16121.2°120.0°
C21C20C19120.1°120.0°
C21C20H23119.9°120.0°
C20C21H24119.4°120.0°
C21C16C9120.2°120.0°
C21C16C17117.5°119.9°
C16C21H24119.4°120.0°
C5C4C7108.4°108.3°
C5C4H1110.2°110.3°
C4C5H3110.0°109.6°
C4C5H4110.0°109.5°
C20C19C18119.7°120.0°
C20C19H22120.1°120.0°
C19C20H23119.9°120.0°
C4C7O1114.6°109.5°
C7C4H1110.1°110.3°
C4C7H8109.1°109.6°
C7O1C8122.7°117.0°
O1C7H8110.1°109.6°
O1C8C9111.2°120.0°
O1C8O2124.1°120.0°
C10C9C16119.7°109.5°
C10C9C8110.0°109.5°
C9C10C15122.8°120.0°
C9C10C11120.0°119.9°
C16C9C8109.7°109.5°
C9C16C17122.0°120.0°
C9C8O2124.6°120.0°
C15C10C11117.1°120.0°
C10C15C14121.7°120.0°
C10C15H19119.2°120.0°
C10C11C12121.3°120.0°
C10C11H7119.4°120.0°
C16C17C18121.3°120.1°
C16C17H20119.4°119.9°
C15C14C13119.9°120.0°
C15C14H2120.1°119.9°
C14C15H19119.2°120.1°
C11C12C13120.3°120.0°
C12C11H7119.4°120.0°
C11C12H9119.8°120.0°
C14C13C12119.8°120.0°
C13C14H2120.1°120.0°
C14C13H10120.1°120.0°
C13C12H9119.8°120.0°
C12C13H10120.1°120.0°
C19C18C17120.0°120.0°
C19C18H21120.0°120.0°
C18C19H22120.1°120.0°
C18C17H20119.3°120.0°
C17C18H21120.0°120.1°
H3C5H4109.5°109.6°
H5C6H6109.5°109.4°
H11C3H12109.5°109.5°
H13C1H14109.5°109.5°
H13C1H15109.5°109.4°
H14C1H15109.5°109.5°
H16C2H17109.5°109.3°
H25C22H26109.5°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N1C2C6121.4°118.6°
C1N1C2C22120.0°118.6°
C1N1C2C3168.2°179.5°
C1N1C6C22120.3°118.8°
C1N1C6C5166.1°179.8°
C1N1C22C7168.0°179.8°
C1N1C6H574.0°60.1°
C1N1C6H646.1°59.6°
N1C1H13H14120.0°120.0°
N1C1H13H15120.0°120.0°
N1C1H14H15120.0°120.0°
C1N1C2H1671.9°59.8°
C1N1C2H1748.4°59.9°
C1N1C22H2572.0°59.6°
C1N1C22H2647.9°60.0°
N1C2C3H16119.8°120.1°
N1C2C3H17119.8°120.5°
C2N1C6C22118.9°122.9°
N1C2C3C421.5°0.8°
C2N1C6C573.1°61.5°
C2N1C22C747.5°61.5°
C2N1C6H546.9°178.4°
C2N1C6H6167.0°58.7°
N1C2C3H11141.4°119.8°
N1C2C3H1298.3°119.2°
C2N1C1H13180.0°59.9°
C2N1C1H1460.0°60.1°
C2N1C1H1560.0°179.9°
N1C2H16H17120.5°119.7°
C2N1C22H25167.5°58.7°
C2N1C22H2672.6°178.3°
C3C2N1C646.8°61.9°
C3C2N1C2271.8°61.0°
C2C3C4H11119.8°118.9°
C2C3C4H12119.8°120.9°
C2C3C4C572.4°58.2°
C2C3C4C745.7°59.6°
C2C3C4H1167.5°179.5°
C2C3H11H12120.5°121.9°
C3C2H16H17120.5°119.7°
N1C6C5H5120.0°120.1°
N1C6C5H6120.0°120.1°
C6N1C22C770.6°61.4°
N1C6C5C421.5°0.0°
N1C6C5H3141.2°119.8°
N1C6C5H498.2°119.8°
N1C6H5H6120.1°119.6°
C6N1C1H1360.3°60.0°
C6N1C1H1459.7°180.0°
C6N1C1H15179.7°60.0°
C6N1C2H16166.6°178.4°
C6N1C2H1773.0°58.7°
C6N1C22H2549.4°178.3°
C6N1C22H26169.3°58.7°
C22N1C6C545.8°61.4°
N1C22C7H25120.0°120.2°
N1C22C7H26120.1°120.2°
N1C22C7C419.3°0.0°
N1C22C7O1103.8°119.8°
C22N1C6H5165.7°58.7°
C22N1C6H674.2°178.4°
N1C22C7H8137.3°119.9°
C22N1C1H1359.8°179.9°
C22N1C1H14179.8°59.9°
C22N1C1H1560.2°60.2°
C22N1C2H1648.1°58.8°
C22N1C2H17168.4°178.4°
N1C22H25H26119.8°119.7°
C3C4C5C646.5°59.1°
C3C4C7C2269.2°59.6°
C3C4C5C7119.4°117.9°
C3C4C5H1120.1°121.4°
C3C4C7H1121.8°120.9°
C3C4C7O148.9°60.3°
C3C4C5H373.2°179.0°
C3C4C5H4166.2°60.8°
C3C4C7H8172.8°179.5°
C4C3H11H12120.5°120.2°
C4C3C2H1698.3°120.8°
C4C3C2H17141.3°119.7°
C6C5C4H3119.7°119.9°
C6C5C4H4119.7°119.9°
C6C5C4C772.9°58.7°
C6C5C4H1166.6°179.5°
C6C5H3H4120.9°120.5°
C5C6H5H6120.1°119.8°
O3C9C16C2135.5°5.1°
O3C9C8O120.2°35.0°
O3C9C10C16115.6°120.0°
O3C9C10C8116.1°120.0°
O3C9C16C8114.6°120.0°
O3C9C10C1594.6°19.9°
O3C9C10C1181.7°160.1°
O3C9C16C17138.5°174.6°
O3C9C8O2160.8°145.0°
C22C7C4C548.5°58.7°
C22C7C4O1118.1°119.9°
C22C7C4H8118.0°119.9°
C22C7O1H8118.3°120.4°
C22C7O1C8161.8°90.6°
C22C7C4H1169.0°179.5°
C7C22H25H26119.9°119.7°
C20C21C16H24180.0°179.5°
C21C20C19H23180.0°179.8°
C20C21C16C9177.3°179.7°
C20C21C16C173.0°0.6°
C21C20C19C180.4°0.3°
C21C20C19H22179.6°179.7°
C16C21C20C191.3°0.6°
C21C16C9C1081.4°125.1°
C21C16C9C17174.0°179.7°
C21C16C9C8150.1°114.9°
C21C16C17C183.1°0.3°
C21C16C17H20176.8°179.8°
C16C21C20H23178.6°179.7°
C5C4C7H1120.6°120.7°
C5C4C7O1166.6°178.6°
C4C5H3H4121.0°120.2°
C4C5C6H598.5°120.1°
C4C5C6H6141.4°120.0°
C5C4C7H869.5°61.1°
C5C4C3H11167.8°60.7°
C5C4C3H1247.4°179.1°
C20C19C18H22180.0°180.0°
C20C19C18C170.3°0.0°
C20C19C18H21179.7°180.0°
C19C20C21H24178.7°180.0°
C4C7O1H8123.4°120.3°
C4C7O1C879.9°150.1°
C7C4C5H3167.5°61.1°
C7C4C5H446.8°178.6°
C7C4C3H1174.1°178.5°
C7C4C3H12165.5°61.3°
C4C7C22H25100.7°120.2°
C4C7C22H26139.4°120.3°
C7O1C8C9109.7°180.0°
C7O1C8O269.3°0.1°
O1C7C4H172.9°60.6°
O1C7C22H25136.2°0.4°
O1C7C22H2616.3°119.9°
O1C8C9C10134.9°85.0°
O1C8C9C1691.4°155.0°
O1C8C9O2179.0°179.9°
C8O1C7H843.5°29.8°
C10C9C16C8128.5°120.0°
C9C10C15C11176.4°180.0°
C10C9C16C17104.6°54.6°
C9C10C15C14177.5°180.0°
C9C10C11C12177.5°179.7°
C10C9C8O246.1°95.0°
C9C10C11H72.5°0.3°
C10C9O3H18180.0°180.0°
C9C10C15H192.5°0.0°
C16C9C10C1521.0°100.0°
C16C9C10C11162.7°79.9°
C16C9C8O287.6°25.0°
C9C16C17C18177.3°180.0°
C16C9O3H1853.5°60.0°
C9C16C17H202.7°0.0°
C9C16C21H242.7°0.3°
C8C9C10C15149.3°139.9°
C8C9C10C1134.3°40.1°
C8C9C16C1723.9°65.4°
C8C9O3H1862.4°60.0°
C10C15C14H19180.0°180.0°
C15C10C11C120.9°0.3°
C10C15C14C130.9°0.0°
C10C15C14H2179.1°179.7°
C15C10C11H7179.0°179.7°
C11C10C15C141.1°0.0°
C10C11C12H7180.0°179.5°
C10C11C12C130.6°0.6°
C10C11C12H9179.3°180.0°
C11C10C15H19178.9°180.0°
C16C17C18C191.5°0.0°
C16C17C18H20180.0°180.0°
C16C17C18H21178.5°180.0°
C17C16C21H24177.0°180.0°
C15C14C13H2180.0°179.7°
C15C14C13C120.6°0.3°
C15C14C13H10179.5°179.8°
C11C12C13C140.4°0.6°
C11C12C13H9180.0°179.5°
C11C12C13H10179.6°179.5°
C14C13C12H10180.0°179.9°
C14C13C12H9179.5°179.9°
C13C14C15H19179.1°180.0°
C12C13C14H2179.4°180.0°
C13C12C11H7179.3°180.0°
C19C18C17H21180.0°180.0°
C19C18C17H20178.4°180.0°
C18C19C20H23179.6°180.0°
C17C18C19H22179.7°180.0°
H1C4C5H347.0°59.6°
H1C4C5H473.7°60.6°
H1C4C7H851.0°59.6°
H1C4C3H1147.6°60.6°
H1C4C3H1272.7°59.5°
H2C14C13H100.6°0.0°
H2C14C15H190.9°0.3°
H3C5C6H521.2°0.3°
H3C5C6H698.9°120.1°
H4C5C6H5141.9°120.1°
H4C5C6H621.8°0.3°
H7C11C12H90.7°0.5°
H8C7C22H2517.2°119.9°
H8C7C22H26102.7°0.4°
H9C12C13H100.4°0.0°
H11C3C2H1621.5°120.1°
H11C3C2H1798.8°0.6°
H12C3C2H16141.9°0.9°
H12C3C2H1721.5°120.3°
H13C1H14H15120.0°119.9°
H20C17C18H211.6°0.0°
H21C18C19H220.3°0.0°
H22C19C20H230.4°0.0°
H23C20C21H241.3°0.2°

222415

PDB entries from 2024-07-10

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