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SKC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C21doub1.32Å1.34ÅAromatic
N2C23sing1.47Å1.46Å
N2C26sing1.38Å1.36Å
N3C26sing1.37Å1.38Å
N3C27sing1.47Å1.46Å
N5C29sing1.52Å1.46Å
C6C7doub1.38Å1.38ÅAromatic
C6C11sing1.39Å1.39ÅAromatic
C7C8sing1.38Å1.38ÅAromatic
C8C9doub1.38Å1.38ÅAromatic
C9C10sing1.38Å1.38ÅAromatic
C10C11doub1.39Å1.39ÅAromatic
C11C12sing1.48Å1.49Å
C12C13doub1.39Å1.40ÅAromatic
C12C21sing1.40Å1.42ÅAromatic
C13C14sing1.39Å1.38ÅAromatic
C14C15doub1.38Å1.37ÅAromatic
N1C15sing1.32Å1.34ÅAromatic
C16C17doub1.38Å1.37ÅAromatic
C16C22sing1.38Å1.39ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C18C19doub1.38Å1.37ÅAromatic
C19C20sing1.39Å1.38ÅAromatic
C20C22doub1.38Å1.39ÅAromatic
N5C21sing1.39Å1.39Å
C22C23sing1.51Å1.52Å
C23C24sing1.54Å1.55Å
C23C28sing1.54Å1.53Å
C24C25sing1.49Å1.51Å
C24C29sing1.55Å1.54Å
N3C25sing1.34Å1.38Å
C25O30doub1.21Å1.22Å
N4C26doub1.30Å1.31Å
N5C28sing1.47Å1.47Å
C8CL31sing1.74Å1.74Å
C16F32sing1.35Å1.35Å
C19F33sing1.35Å1.36Å
C7HC7sing1.08Å1.08Å
N2HN2sing0.97Å1.00Å
C9HC9sing1.08Å1.08Å
C6HC6sing1.08Å1.08Å
N4HN4sing0.97Å1.00Å
C10HC10sing1.08Å1.08Å
C13HC13sing1.08Å1.08Å
C14HC14sing1.08Å1.08Å
C15HC15sing1.08Å1.08Å
C17HC17sing1.08Å1.08Å
C18HC18sing1.08Å1.08Å
C20HC20sing1.08Å1.08Å
C24HC24sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
C27H27Csing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C29H29Bsing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C21C12121.9°120.5°
C21N1C15118.4°121.7°
N1C21N5115.3°119.8°
C23N2C26124.4°117.7°
N2C23C22110.2°111.6°
N2C23C24107.4°109.0°
N2C23C28108.0°108.2°
C23N2HN2117.8°121.1°
N2C26N3119.6°118.3°
N2C26N4125.3°121.3°
C26N2HN2117.8°121.2°
C26N3C27119.8°119.7°
C26N3C25122.5°120.4°
N3C26N4115.1°120.5°
C27N3C25117.7°119.8°
N3C27H27A109.5°109.4°
N3C27H27B109.5°109.4°
N3C27H27C109.5°109.5°
C29N5C21119.5°111.0°
N5C29C24104.6°104.6°
C29N5C28112.7°108.1°
N5C29H29B110.7°110.2°
N5C29H29A110.7°111.0°
C7C6C11121.3°119.8°
C6C7C8119.3°120.1°
C6C7HC7120.3°119.9°
C7C6HC6119.3°120.1°
C6C11C10117.8°119.8°
C6C11C12120.9°120.1°
C11C6HC6119.3°120.1°
C7C8C9121.0°120.2°
C7C8CL31119.4°119.9°
C8C7HC7120.3°120.0°
C8C9C10119.3°120.1°
C9C8CL31119.6°119.9°
C8C9HC9120.4°120.0°
C9C10C11121.3°119.9°
C10C9HC9120.4°120.0°
C9C10HC10119.3°120.1°
C10C11C12121.2°120.2°
C11C10HC10119.4°120.0°
C11C12C13118.5°120.6°
C11C12C21123.8°120.6°
C13C12C21117.6°118.9°
C12C13C14119.6°118.4°
C12C13HC13120.2°120.8°
C12C21N5122.4°119.8°
C13C14C15118.6°119.5°
C14C13HC13120.2°120.8°
C13C14HC14120.7°120.2°
C14C15N1123.6°121.1°
C15C14HC14120.7°120.3°
C14C15HC15118.2°119.4°
N1C15HC15118.2°119.5°
C17C16C22123.3°120.0°
C16C17C18118.9°120.0°
C17C16F32118.0°120.0°
C16C17HC17120.5°120.0°
C16C22C20117.4°120.0°
C16C22C23121.6°120.0°
C22C16F32118.7°120.0°
C17C18C19118.0°120.0°
C18C17HC17120.5°120.0°
C17C18HC18121.0°119.9°
C18C19C20123.7°120.0°
C18C19F33118.3°120.0°
C19C18HC18121.0°120.0°
C19C20C22118.6°120.0°
C20C19F33118.0°120.0°
C19C20HC20120.7°120.0°
C20C22C23120.9°120.0°
C22C20HC20120.7°120.0°
C21N5C28127.2°111.6°
C22C23C24112.9°111.7°
C22C23C28114.7°111.7°
C24C23C28103.2°104.3°
C23C24C25114.5°111.8°
C23C24C29103.2°102.5°
C23C24HC24108.8°110.5°
C23C28N5102.2°107.4°
C23C28H28A111.3°109.8°
C23C28H28B111.3°109.8°
C25C24C29111.4°110.2°
C24C25N3116.4°123.9°
C24C25O30121.7°118.0°
C25C24HC24109.4°110.4°
C29C24HC24109.1°111.2°
C24C29H29B110.7°110.3°
C24C29H29A110.7°110.3°
N3C25O30121.9°118.0°
C26N4HN4112.0°119.9°
N5C28H28A111.3°109.8°
N5C28H28B111.2°110.0°
H27AC27H27B109.5°109.5°
H27AC27H27C109.4°109.5°
H27BC27H27C109.5°109.5°
H28AC28H28B109.5°109.8°
H29BC29H29A109.5°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C21N5C2923.5°61.8°
N1C21C12C11173.3°180.0°
N1C21C12C133.3°0.0°
N1C21C12N5173.2°180.0°
C21N1C15C140.4°0.0°
N1C21N5C28146.8°58.9°
C21N1C15HC15179.6°180.0°
C23N2C26HN2180.0°179.7°
C23N2C26N32.2°40.1°
N2C23C22C16178.8°179.3°
N2C23C22C203.6°0.8°
N2C23C22C24120.0°122.3°
N2C23C22C28122.1°121.3°
N2C23C24C28113.9°115.4°
N2C23C24C2543.6°36.4°
N2C23C24C2977.7°81.6°
C23N2C26N4176.0°138.3°
N2C23C28N578.3°95.3°
N2C23C24HC24166.5°159.7°
N2C23C28H28A162.9°145.3°
N2C23C28H28B40.5°24.4°
N2C26N3N4178.4°178.4°
N2C26N3C27165.6°165.5°
C26N2C23C2292.7°72.7°
C26N2C23C2430.7°51.1°
C26N2C23C28141.3°164.0°
N2C26N3C2515.3°12.8°
N2C26N4HN4178.3°178.3°
C26N3C27C25179.1°178.3°
C26N3C25C240.9°1.2°
C26N3C25O30179.9°177.9°
N3C26N2HN2177.9°139.6°
N3C26N4HN40.0°3.3°
C26N3C27H27A180.0°85.5°
C26N3C27H27B60.0°154.6°
C26N3C27H27C60.0°34.5°
C27N3C25C24178.2°177.1°
C27N3C25O301.0°3.7°
C27N3C26N412.7°16.1°
N3C27H27AH27B120.0°119.9°
N3C27H27AH27C120.0°120.0°
N3C27H27BH27C120.0°120.0°
C29N5C21C12162.8°118.2°
C29N5C21C28170.3°120.7°
N5C29C24C2322.9°34.8°
C29N5C28C2322.0°1.4°
N5C29C24C25146.4°154.0°
N5C29C24H29B119.2°118.5°
N5C29C24H29A119.2°119.4°
N5C29C24HC2492.7°83.3°
C29N5C28H28A96.8°120.7°
C29N5C28H28B140.8°118.2°
N5C29H29BH29A122.3°122.9°
C7C6C11HC6180.0°180.0°
C6C7C8HC7180.0°179.8°
C6C7C8C91.3°0.3°
C7C6C11C101.9°0.5°
C7C6C11C12173.9°180.0°
C6C7C8CL31177.8°179.8°
C11C6C7C80.5°0.0°
C6C11C10C91.5°0.7°
C6C11C10C12175.8°179.6°
C6C11C12C1355.0°55.8°
C6C11C12C21128.4°124.3°
C11C6C7HC7179.5°179.8°
C6C11C10HC10178.4°179.7°
C7C8C9CL31179.0°179.9°
C7C8C9C101.6°0.0°
C7C8C9HC9178.4°180.0°
C8C7C6HC6179.5°180.0°
C8C9C10HC9180.0°180.0°
C8C9C10C110.2°0.4°
C9C8C7HC7178.7°179.9°
C8C9C10HC10179.8°180.0°
C9C10C11HC10180.0°179.6°
C9C10C11C12174.2°179.8°
C10C9C8CL31177.4°180.0°
C10C11C12C13120.6°123.7°
C10C11C12C2156.0°56.2°
C11C10C9HC9179.8°179.5°
C10C11C6HC6178.1°179.5°
C11C12C13C21176.8°179.9°
C11C12C13C14175.0°179.9°
C11C12C21N513.4°0.1°
C12C11C6HC66.1°0.0°
C12C11C10HC105.8°0.2°
C11C12C13HC135.0°0.0°
C12C13C14HC13180.0°180.0°
C12C13C14C150.2°0.0°
C13C12C21N5170.0°180.0°
C12C13C14HC14179.9°180.0°
C21C12C13C141.8°0.0°
C12C21N1C152.6°0.0°
C12C21N5C2826.9°121.1°
C21C12C13HC13178.2°180.0°
C13C14C15HC14180.0°179.9°
C13C14C15N11.0°0.0°
C13C14C15HC15179.0°179.9°
C14C15N1HC15180.0°180.0°
C15C14C13HC13179.8°180.0°
C15N1C21N5171.1°180.0°
N1C15C14HC14179.1°180.0°
C17C16C22F32179.0°179.7°
C16C17C18HC17180.0°180.0°
C16C17C18C190.5°0.0°
C17C16C22C200.2°0.1°
C17C16C22C23177.9°180.0°
C16C17C18HC18179.5°180.0°
C22C16C17C180.8°0.0°
C16C22C20C190.6°0.1°
C16C22C20C23177.7°179.9°
C16C22C23C2461.1°58.4°
C16C22C23C2856.7°58.0°
C22C16C17HC17179.2°180.0°
C16C22C20HC20179.3°180.0°
C17C18C19HC18180.0°179.9°
C17C18C19C200.4°0.1°
C18C17C16F32178.2°179.7°
C17C18C19F33178.3°180.0°
C18C19C20F33178.7°180.0°
C18C19C20C221.0°0.1°
C19C18C17HC17179.5°180.0°
C18C19C20HC20179.0°180.0°
C19C20C22HC20180.0°179.9°
C19C20C22C23177.1°180.0°
C20C19C18HC18179.6°180.0°
C20C22C23C24116.5°121.5°
C20C22C23C28125.7°122.1°
C20C22C16F32178.8°179.7°
C22C20C19F33177.7°179.9°
C21N5C28C23148.9°123.7°
C21N5C29C24172.4°145.6°
C21N5C28H28A92.3°116.9°
C21N5C28H28B30.0°4.2°
C21N5C29H29B68.4°27.1°
C21N5C29H29A53.2°95.4°
C22C23C24C28124.4°120.8°
C22C23C24C2578.0°87.4°
C22C23C24C29160.6°154.6°
C22C23C28N5158.4°141.5°
C23C22C16F321.1°0.2°
C22C23N2HN287.3°107.6°
C23C22C20HC202.9°0.1°
C22C23C24HC2444.8°36.0°
C22C23C28H28A39.6°22.1°
C22C23C28H28B82.8°98.8°
C23C24C25C29116.7°113.3°
C23C24C25HC24122.5°123.4°
C23C24C29HC24115.6°118.1°
C23C24C25N331.6°14.6°
C23C24C25O30149.2°164.5°
C24C23C28N535.2°20.7°
C24C23N2HN2149.4°128.6°
C24C23C28H28A83.6°98.8°
C24C23C28H28B154.0°140.3°
C23C24C29H29B142.2°83.6°
C23C24C29H29A96.3°154.3°
C28C23C24C25157.5°151.8°
C28C23C24C2936.2°33.8°
C23C28N5H28A118.8°119.4°
C23C28N5H28B118.8°119.5°
C28C23N2HN238.7°15.7°
C28C23C24HC2479.6°84.8°
C23C28H28AH28B123.4°120.9°
C25C24C29HC24121.0°122.8°
C24C25N3O30179.2°179.1°
C25C24C29H29B94.4°35.5°
C25C24C29H29A27.1°86.6°
C29C24C25N385.1°98.7°
C29C24C25O3094.1°82.1°
C24C29N5C280.7°22.9°
C24C29H29BH29A122.2°122.1°
C25N3C26N4166.3°165.6°
N3C25C24HC24154.1°138.0°
C25N3C27H27A0.9°96.2°
C25N3C27H27B119.1°23.8°
C25N3C27H27C120.9°143.8°
O30C25C24HC2426.7°41.1°
N4C26N2HN24.0°42.0°
N5C28H28AH28B123.3°121.2°
C28N5C29H29B120.0°95.7°
C28N5C29H29A118.5°141.8°
CL31C8C7HC72.3°0.0°
CL31C8C9HC92.6°0.1°
F32C16C17HC171.8°0.3°
F33C19C18HC181.7°0.0°
F33C19C20HC202.3°0.1°
HC7C7C6HC60.5°0.2°
HC9C9C10HC100.2°0.0°
HC13C13C14HC140.1°0.1°
HC14C14C15HC151.0°0.0°
HC17C17C18HC180.5°0.0°
HC24C24C29H29B26.6°158.2°
HC24C24C29H29A148.1°36.2°
H27AC27H27BH27C120.0°120.1°

227111

PDB entries from 2024-11-06

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