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BX3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.30Å1.29Å
N1HN1sing0.97Å1.02Å
C2N3sing1.38Å1.28Å
C2C4sing1.48Å1.51Å
N3HN31sing0.97Å1.02Å
N3HN32sing0.97Å1.02Å
C4C5doub1.40Å1.41ÅAromatic
C4C9sing1.38Å1.42ÅAromatic
C5C6sing1.36Å1.40ÅAromatic
C5H5sing1.08Å1.10Å
C6C7doub1.41Å1.41ÅAromatic
C6H6sing1.08Å1.10Å
C7C8sing1.42Å1.42ÅAromatic
C7C10sing1.40Å1.41ÅAromatic
C8C9doub1.40Å1.41ÅAromatic
C8C12sing1.41Å1.40ÅAromatic
C9H9sing1.08Å1.10Å
C10C11doub1.36Å1.40ÅAromatic
C10H10sing1.08Å1.10Å
C11C13sing1.39Å1.40ÅAromatic
C11H11sing1.08Å1.10Å
C12C13doub1.36Å1.39ÅAromatic
C12H12sing1.08Å1.10Å
C13C14sing1.51Å1.54Å
C14C15sing1.53Å1.57Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C15C16sing1.51Å1.52Å
C15C22sing1.51Å1.52Å
C15H15sing1.09Å1.12Å
C16C17doub1.38Å1.40ÅAromatic
C16C21sing1.38Å1.40ÅAromatic
C17C18sing1.38Å1.41ÅAromatic
C17H17sing1.08Å1.10Å
C18C19doub1.39Å1.43ÅAromatic
C18H18sing1.08Å1.10Å
C19C20sing1.39Å1.42ÅAromatic
C19O25sing1.36Å1.41Å
C20C21doub1.38Å1.39ÅAromatic
C20H20sing1.08Å1.10Å
C21H21sing1.08Å1.10Å
C22O23doub1.21Å1.26Å
C22O24sing1.34Å1.25Å
O24HO4sing0.97Å0.95Å
O25C26sing1.43Å1.41Å
C26C27sing1.53Å1.54Å
C26C30sing1.53Å1.55Å
C26H26sing1.09Å1.11Å
C27C34sing1.54Å1.56Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.11Å
N28C29sing1.47Å1.49Å
N28C31sing1.37Å1.33Å
N28C34sing1.47Å1.49Å
C29C30sing1.53Å1.56Å
C29H291sing1.09Å1.11Å
C29H292sing1.09Å1.12Å
C30H301sing1.09Å1.12Å
C30H302sing1.09Å1.12Å
C31N32doub1.29Å1.30Å
C31C33sing1.51Å1.53Å
N32HN3sing0.97Å1.02Å
C33H331sing1.09Å1.12Å
C33H332sing1.09Å1.11Å
C33H333sing1.09Å1.11Å
C34H341sing1.09Å1.11Å
C34H342sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1HN169.3°120.1°
N1C2N3125.2°120.0°
N1C2C4116.7°120.0°
N3C2C4118.1°120.0°
C2N3HN31125.2°120.0°
C2N3HN32106.7°120.0°
C2C4C5121.7°119.7°
C2C4C9118.8°119.7°
HN31N3HN32106.6°120.0°
C5C4C9119.5°120.6°
C4C5C6120.9°120.8°
C4C5H5120.1°119.6°
C4C9C8120.0°119.5°
C4C9H9120.0°120.3°
C6C5H5119.1°119.6°
C5C6C7119.6°120.0°
C5C6H6119.8°120.0°
C7C6H6120.5°120.0°
C6C7C8120.2°119.7°
C6C7C10121.0°121.1°
C8C7C10118.8°119.2°
C7C8C9119.7°119.4°
C7C8C12119.8°119.4°
C7C10C11120.3°119.8°
C7C10H10119.9°120.1°
C9C8C12120.5°121.2°
C8C9H9120.0°120.2°
C8C12C13121.2°119.7°
C8C12H12119.7°120.2°
C11C10H10119.8°120.1°
C10C11C13120.6°121.0°
C10C11H11119.8°119.5°
C13C11H11119.6°119.5°
C11C13C12119.2°120.9°
C11C13C14124.2°119.5°
C13C12H12119.0°120.1°
C12C13C14116.6°119.5°
C13C14C15114.4°109.5°
C13C14H141110.4°109.5°
C13C14H142110.4°109.5°
C15C14H141110.4°109.5°
C15C14H142110.4°109.5°
C14C15C16113.2°109.5°
C14C15C22114.2°109.5°
C14C15H15103.4°109.4°
H141C14H14299.9°109.5°
C16C15C22109.6°109.5°
C16C15H15108.6°109.5°
C15C16C17123.6°119.9°
C15C16C21116.0°120.0°
C22C15H15107.5°109.5°
C15C22O23116.4°120.0°
C15C22O24120.1°120.0°
C17C16C21120.3°120.1°
C16C17C18119.5°120.0°
C16C17H17119.9°120.0°
C16C21C20121.6°120.0°
C16C21H21119.6°120.0°
C18C17H17120.6°120.0°
C17C18C19119.7°120.0°
C17C18H18119.5°120.0°
C19C18H18120.8°120.1°
C18C19C20119.9°119.9°
C18C19O25123.9°120.1°
C20C19O25116.2°120.1°
C19C20C21119.0°120.0°
C19C20H20121.3°120.0°
C19O25C26121.5°106.8°
C21C20H20119.7°120.0°
C20C21H21118.9°120.0°
O23C22O24123.5°120.0°
C22O24HO4120.0°120.0°
O25C26C27105.8°109.5°
O25C26C30110.3°109.4°
O25C26H26110.6°109.4°
C27C26C30107.3°109.5°
C27C26H26113.5°109.5°
C26C27C34108.2°109.2°
C26C27H271112.7°109.6°
C26C27H272112.7°109.5°
C30C26H26109.2°109.5°
C26C30C29105.1°109.3°
C26C30H301113.9°109.5°
C26C30H302113.8°109.5°
C34C27H271112.7°109.6°
C34C27H272112.7°109.4°
C27C34N28110.1°108.5°
C27C34H341112.0°109.6°
C27C34H342112.0°109.6°
H271C27H27297.7°109.5°
C29N28C31121.1°120.7°
C29N28C34115.7°118.7°
N28C29C30109.3°108.8°
N28C29H291112.3°109.5°
N28C29H292112.3°109.6°
C31N28C34123.2°120.6°
N28C31N32126.0°120.0°
N28C31C33122.8°120.0°
N28C34H341111.9°110.0°
N28C34H342111.9°109.5°
C30C29H291112.2°109.6°
C30C29H292112.3°109.6°
C29C30H301113.9°109.5°
C29C30H302113.9°109.5°
H291C29H29298.2°109.7°
H301C30H30296.5°109.5°
N32C31C33111.2°120.0°
C31N32HN3118.8°120.0°
C31C33H331122.7°109.5°
C31C33H332107.5°109.5°
C31C33H333107.5°109.5°
H331C33H332107.5°109.5°
H331C33H333107.5°109.5°
H332C33H333102.4°109.5°
H341C34H34298.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3C4179.5°180.0°
N1C2N3HN31180.0°0.0°
N1C2N3HN3254.7°180.0°
N1C2C4C5161.8°179.9°
N1C2C4C919.4°0.0°
HN1N1C2N379.4°0.0°
HN1N1C2C4100.1°180.0°
C2N3HN31HN32125.3°180.0°
N3C2C4C517.7°0.1°
N3C2C4C9161.0°180.0°
C4C2N3HN310.5°180.0°
C4C2N3HN32125.8°0.0°
C2C4C5C9178.7°179.9°
C2C4C5C6177.9°180.0°
C2C4C5H52.1°0.1°
C2C4C9C8178.1°179.9°
C2C4C9H91.9°0.0°
C4C5C6H5180.0°179.9°
C4C5C6C70.8°0.1°
C4C5C6H6179.2°180.0°
C5C4C9C80.7°0.1°
C5C4C9H9179.3°179.9°
C9C4C5C60.9°0.1°
C9C4C5H5179.1°180.0°
C4C9C8C70.4°0.1°
C4C9C8H9180.0°180.0°
C4C9C8C12179.6°179.7°
C5C6C7H6180.0°180.0°
C5C6C7C80.5°0.0°
C5C6C7C10179.7°179.9°
H5C5C6C7179.2°180.0°
H5C5C6H60.8°0.1°
C6C7C8C10179.8°179.9°
C6C7C8C90.3°0.1°
C6C7C8C12179.8°179.7°
C6C7C10C11179.5°180.0°
C6C7C10H100.5°0.0°
H6C6C7C8179.5°179.9°
H6C6C7C100.3°0.0°
C7C8C9C12179.9°179.6°
C7C8C9H9179.6°180.0°
C8C7C10C110.7°0.1°
C8C7C10H10179.3°179.9°
C7C8C12C131.3°0.6°
C7C8C12H12178.6°179.7°
C10C7C8C9179.8°180.0°
C10C7C8C120.1°0.3°
C7C10C11H10180.0°180.0°
C7C10C11C130.2°0.1°
C7C10C11H11179.8°180.0°
C9C8C12C13178.6°179.8°
C9C8C12H121.5°0.0°
C12C8C9H90.3°0.4°
C8C12C13C111.8°0.6°
C8C12C13H12180.0°179.8°
C8C12C13C14179.9°179.7°
C10C11C13H11180.0°179.9°
C10C11C13C121.1°0.3°
C10C11C13C14179.0°180.0°
H10C10C11C13179.8°180.0°
H10C10C11H110.2°0.0°
C11C13C12C14178.1°179.7°
C11C13C12H12178.1°179.7°
C11C13C14C1538.5°90.0°
C11C13C14H141163.8°30.0°
C11C13C14H14286.7°150.0°
H11C11C13C12178.9°179.8°
H11C11C13C141.0°0.1°
C12C13C14C15139.5°90.3°
C12C13C14H14114.2°149.7°
C12C13C14H14295.3°29.7°
H12C12C13C140.0°0.0°
C13C14C15H141125.2°120.0°
C13C14C15H142125.2°120.0°
C13C14H141H142116.3°120.0°
C13C14C15C1666.1°180.0°
C13C14C15C22167.6°60.0°
C13C14C15H1551.2°60.0°
C15C14H141H142116.3°120.0°
C14C15C16C22128.7°120.0°
C14C15C16H15114.2°120.0°
C14C15C22H15114.0°119.9°
C14C15C16C1745.1°120.0°
C14C15C16C21133.0°60.0°
C14C15C22O23157.0°120.0°
C14C15C22O2420.8°60.0°
H141C14C15C1659.1°60.0°
H141C14C15C2267.2°60.0°
H141C14C15H15176.4°180.0°
H142C14C15C16168.7°60.0°
H142C14C15C2242.4°180.0°
H142C14C15H1574.1°60.0°
C16C15C22H15117.8°120.1°
C15C16C17C21178.1°180.0°
C15C16C17C18177.9°180.0°
C15C16C17H172.1°0.0°
C15C16C21C20178.9°179.7°
C15C16C21H211.0°0.1°
C16C15C22O2374.8°0.0°
C16C15C22O24107.3°180.0°
C22C15C16C1783.6°120.0°
C22C15C16C2198.3°60.0°
C15C22O23O24177.8°180.0°
C15C22O24HO4180.0°179.9°
H15C15C16C17159.3°0.0°
H15C15C16C2118.8°180.0°
H15C15C22O2343.0°120.0°
H15C15C22O24134.9°59.9°
C16C17C18H17180.0°180.0°
C16C17C18C191.1°0.1°
C16C17C18H18178.9°179.9°
C17C16C21C200.7°0.3°
C17C16C21H21179.3°179.9°
C21C16C17C180.2°0.0°
C21C16C17H17179.8°180.0°
C16C21C20C190.7°0.6°
C16C21C20H21180.0°179.8°
C16C21C20H20179.3°180.0°
C17C18C19H18180.0°179.9°
C17C18C19C201.1°0.2°
C17C18C19O25179.8°180.0°
H17C17C18C19178.9°180.0°
H17C17C18H181.1°0.1°
C18C19C20O25178.8°179.8°
C18C19C20C210.2°0.5°
C18C19C20H20179.8°179.9°
C18C19O25C2626.7°87.2°
H18C18C19C20178.9°179.7°
H18C18C19O250.2°0.1°
C19C20C21H20180.0°179.4°
C19C20C21H21179.2°179.6°
C20C19O25C26154.6°93.0°
O25C19C20C21179.0°179.7°
O25C19C20H201.0°0.3°
C19O25C26C2780.9°86.9°
C19O25C26C30163.3°153.1°
C19O25C26H2642.4°33.1°
H20C20C21H210.7°0.2°
O23C22O24HO42.3°0.0°
O25C26C27C30117.8°119.9°
O25C26C27H26121.4°120.0°
O25C26C30H26121.7°119.9°
O25C26C27C34176.7°178.5°
O25C26C27H27151.4°61.4°
O25C26C27H27258.0°58.7°
O25C26C30C29176.8°178.6°
O25C26C30H30157.9°61.5°
O25C26C30H30251.5°58.7°
C27C26C30H26123.4°120.1°
C26C27C34H271125.3°120.1°
C26C27C34H272125.2°119.9°
C26C27H271H272118.6°120.1°
C26C27C34N2855.0°54.9°
C27C26C30C2968.4°61.4°
C27C26C30H30156.9°58.5°
C27C26C30H302166.3°178.7°
C26C27C34H34170.3°65.2°
C26C27C34H342179.8°174.5°
C30C26C27C3465.5°61.6°
C30C26C27H271169.2°58.6°
C30C26C27H27259.8°178.6°
C26C30C29N2862.1°54.7°
C26C30C29H301125.3°120.0°
C26C30C29H302125.3°120.0°
C26C30C29H29163.2°174.4°
C26C30C29H292172.7°65.2°
C26C30H301H302119.7°120.2°
H26C26C27C3455.3°58.5°
H26C26C27H27170.0°178.6°
H26C26C27H272179.4°61.3°
H26C26C30C2955.1°58.6°
H26C26C30H301179.6°178.6°
H26C26C30H30270.3°61.3°
C34C27H271H272118.6°120.0°
C27C34N28C2951.8°53.9°
C27C34N28C31128.4°126.4°
C27C34N28H341125.2°119.8°
C27C34N28H342125.2°119.6°
C27C34H341H342117.9°120.3°
H271C27C34N28179.8°65.1°
H271C27C34H34155.0°174.8°
H271C27C34H34254.5°54.4°
H272C27C34N2870.3°174.8°
H272C27C34H341164.5°54.7°
H272C27C34H34254.9°65.7°
C29N28C31C34179.8°179.7°
N28C29C30H291125.3°119.7°
N28C29C30H292125.3°119.8°
N28C29H291H292118.2°120.3°
N28C29C30H30163.2°65.3°
N28C29C30H302172.6°174.6°
C29N28C31N3212.5°173.7°
C29N28C31C33168.3°6.2°
C29N28C34H34173.5°65.9°
C29N28C34H342177.0°173.5°
C31N28C29C30124.2°126.4°
C31N28C29H291110.6°6.6°
C31N28C29H2921.1°113.8°
N28C31N32C33179.3°179.9°
N28C31N32HN3139.3°4.9°
N28C31C33H331180.0°180.0°
N28C31C33H33254.8°60.0°
N28C31C33H33354.8°60.0°
C31N28C34H341106.3°113.8°
C31N28C34H3423.2°6.8°
C34N28C29C3056.0°53.9°
C34N28C29H29169.2°173.7°
C34N28C29H292178.7°65.9°
C34N28C31N32167.7°5.9°
C34N28C31C3311.5°174.1°
N28C34H341H342117.9°120.5°
C30C29H291H292118.2°120.4°
C29C30H301H302119.8°120.0°
H291C29C30H301171.5°54.4°
H291C29C30H30262.1°65.6°
H292C29C30H30162.0°174.8°
H292C29C30H30247.4°54.8°
N32C31C33H3310.7°0.1°
N32C31C33H332125.9°119.9°
N32C31C33H333124.5°120.1°
C33C31N32HN340.0°175.2°
C31C33H331H332125.2°120.0°
C31C33H331H333125.2°120.0°
C31C33H332H333113.0°120.0°
H331C33H332H333113.1°120.0°

222415

PDB entries from 2024-07-10

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