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IB7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N10sing1.40Å1.41Å
C1C5doub1.36Å1.37ÅAromatic
C1C2sing1.42Å1.44ÅAromatic
C2C6sing1.47Å1.49Å
C2N3doub1.32Å1.34ÅAromatic
N3N4sing1.28Å1.32ÅAromatic
N4C9sing1.47Å1.48Å
N4C5sing1.36Å1.37ÅAromatic
C6O7doub1.22Å1.25Å
C6N8sing1.35Å1.36Å
N8C29sing1.47Å1.49Å
N8C32sing1.47Å1.48Å
N10C18sing1.35Å1.34Å
C11C12doub1.38Å1.39ÅAromatic
C11C16sing1.40Å1.40ÅAromatic
C12C13sing1.39Å1.39ÅAromatic
C13C17sing1.51Å1.50Å
C13N14doub1.31Å1.32ÅAromatic
N14C15sing1.33Å1.33ÅAromatic
C15C18sing1.48Å1.47Å
C15C16doub1.40Å1.40ÅAromatic
C16N20sing1.39Å1.38Å
C17C27sing1.53Å1.53Å
C17C28sing1.53Å1.55Å
C18O19doub1.22Å1.23Å
N20C21sing1.40Å1.40Å
C21C22doub1.39Å1.40ÅAromatic
C21C26sing1.39Å1.39ÅAromatic
C22N23sing1.32Å1.33ÅAromatic
N23C24doub1.32Å1.32ÅAromatic
C24N25sing1.32Å1.33ÅAromatic
N25C26doub1.32Å1.32ÅAromatic
C27C28sing1.53Å1.54Å
C29C30sing1.53Å1.55Å
C30C31sing1.53Å1.54Å
C30O33sing1.43Å1.45Å
C31O34sing1.43Å1.44Å
C11H1sing1.08Å1.08Å
C17H2sing1.09Å1.10Å
C22H3sing1.08Å1.08Å
C24H4sing1.08Å1.08Å
C26H5sing1.08Å1.08Å
C27H6sing1.09Å1.10Å
C27H7sing1.09Å1.10Å
C28H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C5H10sing1.08Å1.08Å
C9H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
N10H14sing0.97Å1.00Å
C12H15sing1.08Å1.08Å
N20H16sing0.97Å1.00Å
C29H17sing1.09Å1.10Å
C29H18sing1.09Å1.10Å
C30H19sing1.09Å1.10Å
C31H20sing1.09Å1.10Å
C31H21sing1.09Å1.10Å
C32H22sing1.09Å1.10Å
C32H23sing1.09Å1.10Å
C32H24sing1.09Å1.10Å
O33H25sing0.97Å0.95Å
O34H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N10C1C5129.2°127.3°
N10C1C2124.3°127.3°
C1N10C18121.8°120.0°
C1N10H14119.1°120.0°
C5C1C2106.4°105.4°
C1C5N4107.0°107.1°
C1C5H10126.5°126.4°
C1C2C6124.2°126.5°
C1C2N3106.2°107.0°
C6C2N3129.5°126.5°
C2C6O7118.6°120.0°
C2C6N8120.9°120.0°
C2N3N4110.4°110.3°
N3N4C9125.5°124.9°
N3N4C5110.0°110.2°
C9N4C5124.5°124.9°
N4C9H11109.5°109.4°
N4C9H12109.5°109.5°
N4C9H13109.5°109.5°
N4C5H10126.5°126.5°
O7C6N8120.5°120.0°
C6N8C29118.3°120.0°
C6N8C32120.3°120.0°
C29N8C32121.3°120.0°
N8C29C30115.6°109.4°
N8C29H17107.9°109.4°
N8C29H18107.9°109.5°
N8C32H22109.5°109.5°
N8C32H23109.4°109.5°
N8C32H24109.5°109.4°
N10C18C15114.5°120.0°
N10C18O19123.0°119.9°
C18N10H14119.1°119.9°
C12C11C16119.4°118.5°
C11C12C13118.6°119.5°
C12C11H1120.3°120.7°
C11C12H15120.7°120.3°
C11C16C15118.1°118.9°
C11C16N20121.7°120.6°
C16C11H1120.3°120.8°
C12C13C17120.7°119.4°
C12C13N14121.3°121.1°
C13C12H15120.7°120.2°
C17C13N14117.9°119.4°
C13C17C27121.5°117.5°
C13C17C28113.4°117.5°
C13C17H2116.7°115.6°
C13N14C15121.7°121.7°
N14C15C18119.0°119.8°
N14C15C16120.8°120.4°
C18C15C16120.0°119.8°
C15C18O19122.2°120.0°
C15C16N20120.1°120.6°
C16N20C21122.3°120.0°
C16N20H16118.8°120.0°
C27C17C2860.2°60.0°
C17C27C2860.5°60.0°
C27C17H2116.3°117.5°
C17C27H6119.9°117.4°
C17C27H7119.9°117.5°
C17C28C2759.2°60.0°
C28C17H2116.0°117.6°
C17C28H8120.1°117.5°
C17C28H9120.1°117.5°
N20C21C22121.1°120.9°
N20C21C26121.7°120.9°
C21N20H16118.9°120.0°
C22C21C26117.3°118.3°
C21C22N23119.4°119.0°
C21C22H3120.3°120.5°
C21C26N25119.8°119.0°
C21C26H5120.1°120.5°
C22N23C24121.4°121.0°
N23C22H3120.3°120.5°
N23C24N25121.0°121.9°
N23C24H4119.5°119.0°
C24N25C26121.1°120.9°
N25C24H4119.5°119.1°
N25C26H5120.1°120.5°
C28C27H6119.9°117.5°
C28C27H7119.9°117.5°
C27C28H8120.1°117.6°
C27C28H9120.1°117.5°
C29C30C31109.7°109.5°
C29C30O33113.7°109.5°
C30C29H17107.9°109.5°
C30C29H18107.9°109.5°
C29C30H19108.2°109.5°
C31C30O33107.4°109.5°
C30C31O34110.0°109.5°
C31C30H19108.3°109.5°
C30C31H20109.4°109.5°
C30C31H21109.4°109.5°
O33C30H19109.5°109.5°
C30O33H25109.5°114.0°
O34C31H20109.3°109.5°
O34C31H21109.3°109.4°
C31O34H26109.5°114.0°
H6C27H7109.5°115.6°
H8C28H9109.5°115.5°
H11C9H12109.5°109.5°
H11C9H13109.4°109.5°
H12C9H13109.5°109.5°
H17C29H18109.5°109.5°
H20C31H21109.5°109.5°
H22C32H23109.5°109.5°
H22C32H24109.4°109.5°
H23C32H24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N10C1C5C2176.7°179.8°
N10C1C2C64.8°0.0°
N10C1C2N3178.5°180.0°
N10C1C5N4179.0°179.9°
C1N10C18H14180.0°180.0°
C1N10C18C15175.5°180.0°
C1N10C18O191.5°0.0°
N10C1C5H101.0°0.1°
C5C1C2C6178.2°179.8°
C5C1C2N31.6°0.2°
C1C5N4N32.1°0.3°
C1C5N4C9176.2°179.8°
C1C5N4H10180.0°179.9°
C5C1N10C188.9°0.0°
C5C1N10H14171.1°180.0°
C1C2C6N3175.8°180.0°
C1C2N3N40.3°0.0°
C2C1C5N42.2°0.3°
C1C2C6O726.6°5.1°
C1C2C6N8155.8°174.9°
C2C1N10C18167.3°179.7°
C2C1C5H10177.8°179.7°
C2C1N10H1412.7°0.3°
C6C2N3N4176.7°180.0°
C2C6O7N8177.5°180.0°
C2C6N8C29179.8°177.3°
C2C6N8C322.9°2.8°
C2N3N4C9177.2°180.0°
C2N3N4C51.1°0.2°
N3C2C6O7149.2°174.8°
N3C2C6N828.3°5.1°
N3N4C9C5178.1°179.8°
N3N4C5H10177.9°179.7°
N3N4C9H110.0°90.1°
N3N4C9H12120.0°150.0°
N3N4C9H13120.0°29.9°
C9N4C5H103.8°0.1°
N4C9H11H12120.0°119.9°
N4C9H11H13120.0°120.0°
N4C9H12H13120.0°120.0°
C5N4C9H11178.1°89.8°
C5N4C9H1261.9°30.2°
C5N4C9H1358.1°150.3°
O7C6N8C292.7°2.7°
O7C6N8C32179.6°177.2°
C6N8C29C32176.9°179.9°
C6N8C29C30118.0°90.1°
C6N8C29H172.8°150.0°
C6N8C29H18121.1°29.9°
C6N8C32H22180.0°83.8°
C6N8C32H2360.0°156.2°
C6N8C32H2460.0°36.2°
N8C29C30H17120.9°119.9°
N8C29C30H18120.9°120.0°
N8C29C30C31140.1°180.0°
N8C29C30O3399.7°60.0°
N8C29H17H18117.2°120.0°
N8C29C30H1922.1°60.0°
C29N8C32H223.2°96.1°
C29N8C32H23116.9°23.9°
C29N8C32H24123.1°143.9°
C32N8C29C3065.1°90.0°
C32N8C29H17174.1°29.9°
C32N8C29H1855.8°150.0°
N8C32H22H23120.0°120.0°
N8C32H22H24120.0°120.0°
N8C32H23H24120.0°119.9°
N10C18C15N1416.1°3.6°
N10C18C15O19174.0°179.9°
N10C18C15C16159.3°176.3°
C12C11C16H1180.0°179.7°
C11C12C13H15180.0°180.0°
C11C12C13C17179.3°179.9°
C11C12C13N140.1°0.0°
C12C11C16C150.4°0.0°
C12C11C16N20179.1°180.0°
C16C11C12C130.3°0.0°
C11C16C15N141.5°0.0°
C11C16C15C18176.9°180.0°
C11C16C15N20178.7°179.9°
C11C16N20C2112.6°101.1°
C16C11C12H15179.7°180.0°
C11C16N20H16167.3°79.0°
C12C13C17N14179.3°180.0°
C12C13N14C151.0°0.0°
C12C13C17C27126.1°85.0°
C12C13C17C28165.6°16.4°
C13C12C11H1179.7°179.7°
C12C13C17H226.9°129.4°
C17C13N14C15178.3°179.9°
C13C17C27C28100.7°107.5°
C13C17C27H2153.1°145.0°
C13C17C28H2139.0°145.1°
C13C17C27H6149.7°145.0°
C13C17C27H78.9°0.1°
C13C17C28H84.9°0.1°
C13C17C28H9136.6°145.1°
C17C13C12H150.6°0.0°
C13N14C15C18177.2°180.0°
C13N14C15C161.8°0.0°
N14C13C17C2754.6°95.1°
N14C13C17C2813.7°163.6°
N14C13C17H2152.4°50.6°
N14C13C12H15179.9°180.0°
N14C15C18C16175.4°180.0°
N14C15C16N20179.8°180.0°
N14C15C18O19169.9°176.4°
C18C15C16N204.4°0.0°
C15C18N10H144.5°0.0°
C16C15C18O1914.7°3.6°
C15C16N20C21166.0°78.9°
C15C16C11H1179.6°179.7°
C15C16N20H1614.0°101.1°
C16N20C21H16180.0°180.0°
C16N20C21C22158.4°174.1°
C16N20C21C2620.9°5.6°
N20C16C11H10.9°0.3°
C27C17C28H2106.8°107.5°
C17C27C28H6109.6°107.4°
C17C27C28H7109.6°107.5°
C17C27H6H7144.5°145.6°
C27C17C28H8109.3°107.5°
C27C17C28H9109.3°107.5°
C17C28H8H9145.1°145.7°
O19C18N10H14178.5°180.0°
N20C21C22C26179.3°179.7°
N20C21C22N23179.1°179.8°
N20C21C26N25178.8°179.8°
N20C21C22H30.9°0.4°
N20C21C26H51.2°0.3°
C21C22N23H3180.0°179.9°
C21C22N23C240.0°0.1°
C22C21C26N250.5°0.1°
C22C21C26H5179.6°179.9°
C22C21N20H1621.6°5.9°
C26C21C22N230.2°0.1°
C21C26N25C240.5°0.1°
C21C26N25H5180.0°180.0°
C26C21C22H3179.8°179.9°
C26C21N20H16159.1°174.4°
C22N23C24N250.0°0.1°
C22N23C24H4180.0°180.0°
N23C24N25H4180.0°179.9°
N23C24N25C260.3°0.1°
C24N23C22H3180.0°179.9°
C24N25C26H5179.5°179.9°
C26N25C24H4179.7°180.0°
C28C27H6H7144.4°145.8°
C27C28H8H9145.2°145.7°
C29C30C31O33124.0°120.0°
C29C30C31H19117.9°120.0°
C29C30O33H19121.1°120.0°
C29C30C31O3454.8°175.0°
C30C29H17H18117.2°120.0°
C29C30C31H2065.2°55.0°
C29C30C31H21174.9°65.0°
C29C30O33H25180.0°60.0°
C31C30O33H19117.3°120.0°
C30C31O34H20120.1°120.0°
C30C31O34H21120.1°120.0°
C31C30C29H1719.2°60.1°
C31C30C29H1899.0°60.0°
C30C31H20H21119.8°120.0°
C31C30O33H2558.4°60.0°
C30C31O34H26180.0°180.0°
O33C30C31O34178.9°65.0°
O33C30C29H17139.4°180.0°
O33C30C29H1821.2°60.0°
O33C30C31H2058.8°175.0°
O33C30C31H2161.1°55.0°
O34C31C30H1963.0°55.0°
O34C31H20H21119.7°119.9°
H1C11C12H150.3°0.3°
H2C17C27H63.4°0.0°
H2C17C27H7144.2°144.9°
H2C17C28H8143.9°145.0°
H2C17C28H92.4°0.0°
H6C27C28H8141.1°145.1°
H6C27C28H90.4°0.0°
H7C27C28H80.4°0.0°
H7C27C28H9141.1°145.0°
H11C9H12H13120.0°120.1°
H17C29C30H1998.7°60.0°
H18C29C30H19143.1°180.0°
H19C30C31H20176.9°65.0°
H19C30C31H2157.0°175.0°
H19C30O33H2558.9°180.0°
H20C31O34H2659.9°59.9°
H21C31O34H2659.9°60.0°
H22C32H23H24120.0°120.0°

222415

PDB entries from 2024-07-10

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