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937

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.33Å1.28ÅAromatic
N1C4doub1.32Å1.42ÅAromatic
C2N3doub1.33Å1.41ÅAromatic
C2N14sing1.38Å1.40Å
N3C6sing1.32Å1.26ÅAromatic
C4C5sing1.38Å1.35ÅAromatic
C5C6doub1.40Å1.46ÅAromatic
C5C8sing1.50Å1.53Å
C6C10sing1.47Å1.46ÅAromatic
C7C8sing1.53Å1.58Å
C7C9sing1.50Å1.52Å
C9C10doub1.38Å1.31ÅAromatic
C9C13sing1.40Å1.46ÅAromatic
C10N11sing1.35Å1.40ÅAromatic
N11N12sing1.29Å1.36ÅAromatic
N11C29sing1.47Å1.45Å
N12C13doub1.32Å1.29ÅAromatic
C13C15sing1.48Å1.49Å
N14C17sing1.40Å1.45Å
C15O16doub1.22Å1.23Å
C15N28sing1.35Å1.40Å
C17C18sing1.39Å1.37ÅAromatic
C17C22doub1.39Å1.50ÅAromatic
C18C19doub1.39Å1.50ÅAromatic
C19C20sing1.39Å1.37ÅAromatic
C19N32sing1.40Å1.43Å
C20C21doub1.38Å1.46ÅAromatic
C21C22sing1.38Å1.36ÅAromatic
C22O23sing1.36Å1.42Å
O23C24sing1.43Å1.44Å
C24F25sing1.40Å1.36Å
C24F26sing1.40Å1.39Å
C24F27sing1.40Å1.39Å
C29C30sing1.53Å1.53Å
C30O31sing1.43Å1.43Å
N32C33sing1.47Å1.49Å
N32C37sing1.47Å1.47Å
C33C34sing1.53Å1.55Å
C34N35sing1.47Å1.48Å
N35C36sing1.47Å1.48Å
N35C38sing1.47Å1.47Å
C36C37sing1.53Å1.55Å
C4H4sing1.08Å1.08Å
N14H14sing0.97Å1.00Å
C8H81Csing1.09Å1.10Å
C8H82Csing1.09Å1.10Å
C7H71Csing1.09Å1.10Å
C7H72Csing1.09Å1.10Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
N28H281sing0.97Å1.00Å
N28H282sing0.97Å1.00Å
C18H18sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
O31H31sing0.97Å0.95Å
C33H331sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C37H371sing1.09Å1.10Å
C37H372sing1.09Å1.10Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
C36H361sing1.09Å1.10Å
C36H362sing1.09Å1.10Å
C38H381sing1.09Å1.10Å
C38H382sing1.09Å1.10Å
C38H383sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C4120.5°121.4°
N1C2N3121.1°121.6°
N1C2N14122.5°119.2°
N1C4C5118.9°119.2°
N1C4H4120.5°120.4°
N3C2N14116.3°119.3°
C2N3C6121.7°120.2°
C2N14C17130.1°120.0°
C2N14H14114.9°120.0°
N3C6C5119.3°119.8°
N3C6C10121.6°123.0°
C4C5C6118.6°117.8°
C4C5C8121.6°120.8°
C5C4H4120.6°120.5°
C6C5C8119.8°121.3°
C5C6C10118.8°117.1°
C5C8C7113.4°112.5°
C5C8H81C108.2°108.9°
C5C8H82C107.3°108.8°
C6C10C9122.7°120.4°
C6C10N11129.7°132.6°
C8C7C9113.4°109.8°
C7C8H81C108.2°108.9°
C7C8H82C107.3°108.9°
C8C7H71C108.2°109.4°
C8C7H72C107.3°109.5°
C7C9C10124.2°122.6°
C7C9C13129.4°131.8°
C9C7H71C108.2°109.4°
C9C7H72C107.3°109.4°
C10C9C13106.4°105.6°
C9C10N11107.5°107.0°
C9C13N12108.8°107.1°
C9C13C15127.8°126.4°
C10N11N12109.0°109.7°
C10N11C29126.3°125.1°
N12N11C29124.7°125.2°
N11N12C13108.3°110.5°
N11C29C30110.8°109.5°
N11C29H291109.0°109.5°
N11C29H292108.7°109.5°
N12C13C15123.4°126.5°
C13C15O16121.7°120.0°
C13C15N28119.3°120.0°
N14C17C18118.7°120.0°
N14C17C22122.5°120.1°
C17N14H14114.9°119.9°
O16C15N28119.0°120.0°
C15N28H281110.3°120.0°
C15N28H282124.8°120.0°
C18C17C22118.9°119.9°
C17C18C19120.6°119.9°
C17C18H18119.7°120.0°
C17C22C21120.0°120.0°
C17C22O23117.4°120.0°
C18C19C20118.9°120.0°
C18C19N32121.5°120.0°
C19C18H18119.7°120.1°
C20C19N32119.7°120.0°
C19C20C21120.8°120.1°
C19C20H20119.6°119.9°
C19N32C33119.2°111.0°
C19N32C37119.0°111.0°
C20C21C22120.8°120.1°
C21C20H20119.6°119.9°
C20C21H21119.6°120.0°
C21C22O23122.6°120.1°
C22C21H21119.6°119.9°
C22O23C24118.3°117.0°
O23C24F25109.3°109.5°
O23C24F26110.1°109.5°
O23C24F27112.2°109.5°
F25C24F26109.1°109.5°
F25C24F27106.8°109.5°
F26C24F27109.2°109.5°
C29C30O31107.7°109.5°
C30C29H291109.0°109.4°
C30C29H292108.7°109.5°
C29C30H301110.1°109.5°
C29C30H302110.4°109.5°
O31C30H301110.1°109.4°
O31C30H302110.5°109.5°
C30O31H31109.5°114.0°
C33N32C37121.7°110.8°
N32C33C34114.2°109.4°
N32C33H331107.9°109.5°
N32C33H332106.8°109.5°
N32C37C36112.0°109.4°
N32C37H371108.6°109.5°
N32C37H372108.1°109.5°
C33C34N35112.1°109.3°
C34C33H331107.9°109.5°
C34C33H332106.9°109.5°
C33C34H341108.6°109.5°
C33C34H342108.0°109.5°
C34N35C36109.2°110.9°
C34N35C38109.1°111.0°
N35C34H341108.6°109.5°
N35C34H342108.0°109.5°
C36N35C38108.8°111.0°
N35C36C37109.3°109.4°
N35C36H361109.5°109.5°
N35C36H362109.6°109.5°
N35C38H381109.5°109.4°
N35C38H382109.5°109.5°
N35C38H383109.4°109.4°
C36C37H371108.7°109.5°
C36C37H372108.1°109.5°
C37C36H361109.5°109.5°
C37C36H362109.6°109.5°
H81CC8H82C112.6°108.8°
H71CC7H72C112.6°109.3°
H291C29H292110.5°109.5°
H281N28H282124.8°120.0°
H301C30H302108.1°109.5°
H331C33H332113.2°109.5°
H371C37H372111.4°109.5°
H341C34H342111.5°109.5°
H361C36H362109.3°109.5°
H381C38H382109.4°109.5°
H381C38H383109.5°109.5°
H382C38H383109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3N14176.9°180.0°
N1C2N3C61.0°0.0°
C2N1C4C50.2°0.0°
N1C2N14C17174.6°5.9°
C2N1C4H4179.8°179.9°
N1C2N14H145.4°174.1°
C4N1C2N30.2°0.9°
C4N1C2N14176.4°179.1°
N1C4C5H4180.0°180.0°
N1C4C5C60.1°1.6°
N1C4C5C8179.9°176.4°
C2N3C6C51.2°1.7°
C2N3C6C10172.1°177.7°
N3C2N14C178.6°174.1°
N3C2N14H14171.4°5.9°
N14C2N3C6175.9°180.0°
C2N14C17H14180.0°180.0°
C2N14C17C1854.9°25.0°
C2N14C17C22125.4°154.8°
N3C6C5C40.8°2.5°
N3C6C5C10173.6°179.4°
N3C6C5C8179.2°175.5°
N3C6C10C9162.6°166.2°
N3C6C10N1111.9°14.0°
C4C5C6C8180.0°178.0°
C4C5C6C10172.8°176.9°
C4C5C8C7152.7°146.7°
C4C5C8H81C32.7°92.5°
C4C5C8H82C89.0°26.0°
C6C5C8C727.3°35.3°
C5C6C10C910.8°13.2°
C5C6C10N11174.7°166.5°
C6C5C4H4179.9°178.4°
C6C5C8H81C147.3°85.5°
C6C5C8H82C91.0°156.1°
C8C5C6C107.2°5.1°
C5C8C7H81C120.0°120.8°
C5C8C7H82C118.3°120.7°
C5C8C7C930.3°45.3°
C8C5C4H40.1°3.6°
C5C8H81CH82C118.4°118.5°
C5C8C7H71C89.7°165.4°
C5C8C7H72C148.6°74.8°
C6C10C9C76.0°1.2°
C6C10C9N11175.6°179.8°
C6C10C9C13175.0°178.9°
C6C10N11N12174.9°179.0°
C6C10N11C293.2°1.1°
C8C7C9H71C120.0°120.1°
C8C7C9H72C118.3°120.2°
C8C7C9C1015.4°30.8°
C8C7C9C13163.4°149.3°
C7C8H81CH82C118.4°118.5°
C8C7H71CH72C118.4°119.9°
C7C9C10C13179.1°179.9°
C7C9C10N11178.5°179.0°
C7C9C13N12178.2°179.2°
C7C9C13C152.8°0.8°
C9C7C8H81C150.2°75.5°
C9C7C8H82C88.0°166.1°
C9C7H71CH72C118.4°119.8°
C9C10N11N120.2°0.8°
C9C10N11C29178.3°179.1°
C10C9C13N120.8°0.6°
C10C9C13C15178.2°179.3°
C10C9C7H71C104.6°150.9°
C10C9C7H72C133.7°89.4°
C13C9C10N110.6°0.9°
C9C13N12N110.6°0.1°
C9C13N12C15179.1°180.0°
C9C13C15O166.7°0.0°
C9C13C15N28172.6°180.0°
C13C9C7H71C76.6°29.2°
C13C9C7H72C45.1°90.5°
C10N11N12C29178.1°179.9°
C10N11N12C130.3°0.4°
C10N11C29C30144.1°90.1°
C10N11C29H29124.1°150.0°
C10N11C29H29296.5°29.9°
N11N12C13C15178.4°179.8°
N12N11C29C3038.2°90.1°
N12N11C29H291158.1°29.9°
N12N11C29H29281.3°149.9°
C29N11N12C13177.8°179.5°
N11C29C30H291120.0°120.0°
N11C29C30H292119.4°120.0°
N11C29C30O3197.9°180.0°
N11C29H291H292119.5°120.0°
N11C29C30H30122.1°60.0°
N11C29C30H302141.4°60.0°
N12C13C15O16174.4°179.9°
N12C13C15N286.3°0.0°
C13C15O16N28179.3°180.0°
C13C15N28H2810.4°0.0°
C13C15N28H282179.6°180.0°
N14C17C18C22179.7°179.8°
N14C17C18C19179.7°180.0°
N14C17C22C21179.6°179.7°
N14C17C22O230.4°0.0°
N14C17C18H180.3°0.0°
O16C15N28H281179.7°180.0°
O16C15N28H2820.3°0.0°
C15N28H281H282180.0°180.0°
C17C18C19H18180.0°179.9°
C17C18C19C200.1°0.1°
C17C18C19N32179.8°180.0°
C18C17C22C210.1°0.5°
C18C17C22O23179.9°179.7°
C18C17N14H14125.1°155.0°
C22C17C18C190.0°0.3°
C17C22C21C200.0°0.6°
C17C22C21O23180.0°179.7°
C17C22O23C24116.2°180.0°
C22C17N14H1454.6°25.2°
C22C17C18H18180.0°179.8°
C17C22C21H21180.0°179.7°
C18C19C20N32179.7°179.9°
C18C19C20C210.2°0.1°
C18C19N32C33151.0°180.0°
C18C19N32C3730.3°56.2°
C18C19C20H20179.9°180.0°
C19C20C21H20180.0°179.8°
C19C20C21C220.1°0.4°
C20C19N32C3329.3°0.0°
C20C19N32C37149.4°123.8°
C20C19C18H18179.8°180.0°
C19C20C21H21179.9°179.9°
N32C19C20C21179.9°179.9°
C19N32C33C37178.7°123.9°
C19N32C33C34158.2°176.8°
C19N32C37C36151.3°176.8°
N32C19C18H180.2°0.1°
N32C19C20H200.2°0.1°
C19N32C33H33138.2°56.9°
C19N32C33H33283.9°63.2°
C19N32C37H37188.7°63.2°
C19N32C37H37232.4°56.8°
C20C21C22H21180.0°179.7°
C20C21C22O23179.9°179.7°
C21C22O23C2463.8°0.3°
C22C21C20H20179.9°179.8°
C22O23C24F2581.3°60.0°
C22O23C24F26158.9°180.0°
C22O23C24F2737.0°60.0°
O23C22C21H210.0°0.0°
O23C24F25F26120.4°120.0°
O23C24F25F27121.6°120.0°
O23C24F26F27123.6°120.0°
F25C24F26F27116.5°120.0°
C29C30O31H301120.0°120.0°
C29C30O31H302120.7°120.0°
C30C29H291H292119.4°120.0°
C29C30H301H302120.7°120.0°
C29C30O31H3148.2°180.0°
O31C30C29H291142.1°60.1°
O31C30C29H29221.5°60.0°
O31C30H301H302120.7°120.1°
N32C33C34H331120.0°120.0°
N32C33C34H332117.9°120.0°
N32C33C34N3537.1°58.4°
C33N32C37C3630.0°59.3°
N32C33H331H332118.0°120.1°
C33N32C37H37190.0°60.7°
C33N32C37H372148.9°179.3°
N32C33C34H34182.9°61.5°
N32C33C34H342156.0°178.4°
C37N32C33C3423.1°59.3°
N32C37C36N3551.0°58.4°
N32C37C36H371120.0°119.9°
N32C37C36H372118.9°120.0°
C37N32C33H331143.1°179.3°
C37N32C33H33294.8°60.7°
N32C37H371H372119.0°120.0°
N32C37C36H36169.0°61.6°
N32C37C36H362171.1°178.4°
C33C34N35H341120.0°119.9°
C33C34N35H342118.9°120.0°
C33C34N35C3660.7°59.3°
C33C34N35C38179.5°176.8°
C34C33H331H332118.1°120.0°
C33C34H341H342119.0°120.1°
C34N35C36C38119.0°123.9°
C34N35C36C3767.8°59.3°
N35C34C33H331157.1°178.4°
N35C34C33H33280.8°61.6°
N35C34H341H342118.9°120.1°
C34N35C36H36152.2°60.7°
C34N35C36H362172.1°179.3°
C34N35C38H381166.9°60.0°
C34N35C38H38273.1°180.0°
C34N35C38H38346.8°60.0°
N35C36C37H361120.0°120.0°
N35C36C37H362120.1°120.0°
N35C36C37H37169.0°61.5°
N35C36C37H372170.0°178.4°
C36N35C34H34159.3°60.6°
C36N35C34H342179.6°179.3°
N35C36H361H362120.1°120.0°
C36N35C38H38174.1°176.2°
C36N35C38H38245.9°56.2°
C36N35C38H383165.9°63.8°
C38N35C36C37173.2°176.8°
C38N35C34H34159.4°63.3°
C38N35C34H34261.7°56.8°
C38N35C36H36166.8°63.2°
C38N35C36H36253.1°56.8°
N35C38H381H382120.0°120.0°
N35C38H381H383120.0°120.0°
N35C38H382H383120.0°120.0°
C36C37H371H372119.0°120.1°
C37C36H361H362120.1°120.0°
H81CC8C7H71C30.3°44.7°
H81CC8C7H72C91.5°164.4°
H82CC8C7H71C152.0°73.8°
H82CC8C7H72C30.3°45.9°
H291C29C30H30197.9°180.0°
H291C29C30H30221.4°60.0°
H292C29C30H301141.5°60.0°
H292C29C30H30299.2°180.0°
H20C20C21H210.1°0.1°
H301C30O31H31168.2°60.0°
H302C30O31H3172.5°60.0°
H331C33C34H34137.1°58.4°
H331C33C34H34284.0°61.7°
H332C33C34H341159.2°178.5°
H332C33C34H34238.1°58.4°
H371C37C36H361171.0°178.5°
H371C37C36H36251.1°58.4°
H372C37C36H36150.0°58.4°
H372C37C36H36270.0°61.7°
H381C38H382H383120.0°120.0°

248636

PDB entries from 2026-02-04

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