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BB2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C3sing1.51Å1.53Å
C5C6sing1.53Å1.58Å
C5H51sing1.09Å1.12Å
C5H52sing1.09Å1.12Å
C3O4doub1.21Å1.24Å
C3N1sing1.35Å1.33Å
N1O2sing1.42Å1.23Å
N1HN1sing0.97Å1.02Å
O2HO2sing0.97Å0.95Å
C6C12sing1.51Å1.53Å
C6C7sing1.53Å1.57Å
C6H6sing1.09Å1.11Å
C12O13doub1.21Å1.22Å
C12N14sing1.35Å1.32Å
C7C8sing1.53Å1.54Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C8C9sing1.53Å1.52Å
C8H81sing1.09Å1.11Å
C8H82sing1.09Å1.11Å
C9C10sing1.53Å1.53Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.12Å
C10C11sing1.53Å1.49Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.11Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C11H113sing1.09Å1.12Å
N14C15sing1.47Å1.45Å
N14H14sing0.97Å1.02Å
C15C16sing1.53Å1.53Å
C15C19sing1.51Å1.53Å
C15H15sing1.09Å1.12Å
C16C18sing1.53Å1.51Å
C16C17sing1.53Å1.53Å
C16H16sing1.09Å1.11Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.11Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.12Å
C17H173sing1.09Å1.12Å
C19O20doub1.21Å1.23Å
C19N21sing1.35Å1.32Å
N21C22sing1.47Å1.45Å
N21C23sing1.47Å1.49Å
C22C25sing1.54Å1.53Å
C22C26sing1.53Å1.52Å
C22H22sing1.09Å1.11Å
C23C24sing1.55Å1.51Å
C23H231sing1.09Å1.12Å
C23H232sing1.09Å1.12Å
C24C25sing1.55Å1.50Å
C24H241sing1.09Å1.12Å
C24H242sing1.09Å1.11Å
C25H251sing1.09Å1.11Å
C25H252sing1.09Å1.11Å
C26O27sing1.43Å1.27Å
C26H261sing1.09Å1.12Å
C26H262sing1.09Å1.12Å
O27H27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C5C6109.0°109.5°
C3C5H51112.4°109.5°
C3C5H52112.4°109.4°
C5C3O4115.7°120.1°
C5C3N1120.2°120.0°
C6C5H51112.4°109.5°
C6C5H52112.4°109.4°
C5C6C12115.4°109.5°
C5C6C7101.9°109.5°
C5C6H6109.1°109.4°
H51C5H5298.0°109.5°
O4C3N1122.4°120.0°
C3N1O2123.9°120.0°
C3N1HN1122.0°120.1°
O2N1HN1114.0°119.9°
N1O2HO2123.9°106.8°
C12C6C7104.3°109.6°
C12C6H6107.0°109.4°
C6C12O13122.6°120.0°
C6C12N14115.1°120.1°
C7C6H6119.5°109.5°
C6C7C8110.0°109.5°
C6C7H71112.0°109.4°
C6C7H72112.0°109.5°
O13C12N14121.2°120.0°
C12N14C15123.6°120.0°
C12N14H14113.0°120.0°
C8C7H71112.1°109.4°
C8C7H72112.1°109.5°
C7C8C9111.5°109.5°
C7C8H81111.4°109.4°
C7C8H82111.4°109.5°
H71C7H7298.4°109.5°
C9C8H81111.5°109.4°
C9C8H82111.5°109.6°
C8C9C10113.0°109.5°
C8C9H91110.9°109.4°
C8C9H92110.9°109.5°
H81C8H8298.9°109.4°
C10C9H91110.9°109.5°
C10C9H92110.9°109.5°
C9C10C11113.5°109.5°
C9C10H101110.7°109.5°
C9C10H102110.7°109.5°
H91C9H9299.4°109.5°
C11C10H101110.8°109.5°
C11C10H102110.7°109.5°
C10C11H111113.5°109.5°
C10C11H112110.7°109.5°
C10C11H113110.7°109.5°
H101C10H10299.6°109.5°
H111C11H112110.8°109.5°
H111C11H113110.7°109.5°
H112C11H11399.5°109.5°
C15N14H14123.4°120.0°
N14C15C16113.1°109.4°
N14C15C19107.2°109.5°
N14C15H15108.9°109.4°
C16C15C19110.3°109.5°
C16C15H15105.6°109.5°
C15C16C18111.0°109.5°
C15C16C17106.6°109.5°
C15C16H16110.8°109.5°
C19C15H15111.8°109.5°
C15C19O20120.3°120.0°
C15C19N21116.8°120.0°
C18C16C17110.8°109.4°
C18C16H16106.7°109.4°
C16C18H181110.9°109.5°
C16C18H182111.6°109.5°
C16C18H183111.6°109.4°
C17C16H16111.0°109.5°
C16C17H171106.7°109.5°
C16C17H172113.3°109.5°
C16C17H173113.3°109.5°
H181C18H182111.6°109.5°
H181C18H183111.7°109.5°
H182C18H18398.8°109.4°
H171C17H172113.2°109.5°
H171C17H173113.2°109.4°
H172C17H17397.1°109.4°
O20C19N21122.9°120.0°
C19N21C22122.8°125.6°
C19N21C23124.5°125.7°
C22N21C23112.5°108.7°
N21C22C25101.9°107.2°
N21C22C26114.5°110.3°
N21C22H22112.0°109.6°
N21C23C24102.7°104.9°
N21C23H231114.8°110.4°
N21C23H232114.8°110.4°
C25C22C26111.5°109.9°
C25C22H22115.0°109.9°
C22C25C24103.9°103.0°
C22C25H251114.4°110.8°
C22C25H252114.3°110.5°
C26C22H22102.4°109.9°
C22C26O27117.2°109.5°
C22C26H261109.4°109.5°
C22C26H262109.4°109.5°
C24C23H231114.8°110.3°
C24C23H232114.8°110.3°
C23C24C25105.1°101.6°
C23C24H241113.8°111.0°
C23C24H242113.9°111.1°
H231C23H23295.6°110.4°
C25C24H241113.9°111.0°
C25C24H242113.9°111.0°
C24C25H251114.3°110.8°
C24C25H252114.3°110.7°
H241C24H24296.6°110.9°
H251C25H25296.2°110.8°
O27C26H261109.5°109.4°
O27C26H262109.5°109.5°
C26O27H27117.2°106.8°
H261C26H262100.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C5C6H51125.3°120.0°
C3C5C6H52125.3°119.9°
C3C5H51H52118.3°120.0°
C5C3O4N1165.4°180.0°
C5C3N1O2176.0°180.0°
C5C3N1HN14.1°0.1°
C3C5C6C12169.2°172.8°
C3C5C6C778.4°67.1°
C3C5C6H648.8°52.9°
C6C5H51H52118.3°120.0°
C6C5C3O484.8°3.9°
C6C5C3N1109.4°176.1°
C5C6C12C7110.9°120.1°
C5C6C12H6121.6°119.9°
C5C6C7H6120.2°119.9°
C5C6C12O1325.3°120.0°
C5C6C12N14142.2°59.9°
C5C6C7C8174.6°173.4°
C5C6C7H7149.3°66.8°
C5C6C7H7260.2°53.3°
H51C5C3O4149.9°124.0°
H51C5C3N115.9°56.0°
H51C5C6C1265.5°52.8°
H51C5C6C746.8°172.9°
H51C5C6H6174.1°67.2°
H52C5C3O440.5°116.0°
H52C5C3N1125.3°64.0°
H52C5C6C1244.0°67.3°
H52C5C6C7156.3°52.9°
H52C5C6H676.4°172.8°
O4C3N1O219.2°0.1°
O4C3N1HN1160.7°179.9°
C3N1O2HN1179.9°179.8°
C3N1O2HO2179.9°180.0°
HN1N1O2HO20.0°0.1°
C12C6C7H6119.3°120.0°
C6C12O13N14166.8°180.0°
C12C6C7C865.0°66.6°
C12C6C7H71169.7°53.3°
C12C6C7H7260.3°173.4°
C6C12N14C15168.9°180.0°
C6C12N14H1411.1°0.0°
C7C6C12O1385.6°0.0°
C7C6C12N14106.8°180.0°
C6C7C8H71125.3°119.9°
C6C7C8H72125.2°120.1°
C6C7H71H72117.9°120.1°
C6C7C8C9179.1°174.9°
C6C7C8H8155.7°54.9°
C6C7C8H8253.8°65.0°
H6C6C12O13146.9°120.1°
H6C6C12N1420.7°60.0°
H6C6C7C854.3°53.5°
H6C6C7H7171.0°173.3°
H6C6C7H72179.6°66.6°
O13C12N14C1523.3°0.0°
O13C12N14H14156.7°180.0°
C12N14C15H14180.0°180.0°
C12N14C15C16117.5°90.0°
C12N14C15C19120.6°150.0°
C12N14C15H150.5°30.0°
C8C7H71H72118.0°120.0°
C7C8C9H81125.3°119.9°
C7C8C9H82125.2°120.1°
C7C8H81H82117.3°120.0°
C7C8C9C10166.8°180.0°
C7C8C9H9141.5°60.1°
C7C8C9H9268.0°59.9°
H71C7C8C953.8°65.3°
H71C7C8H81179.1°174.8°
H71C7C8H8271.5°54.9°
H72C7C8C955.7°54.7°
H72C7C8H8169.6°65.2°
H72C7C8H82179.0°174.9°
C9C8H81H82117.4°120.1°
C8C9C10H91125.2°120.0°
C8C9C10H92125.2°120.0°
C8C9H91H92116.7°120.0°
C8C9C10C1162.2°180.0°
C8C9C10H10163.1°60.0°
C8C9C10H102172.6°60.0°
H81C8C9C1068.0°60.0°
H81C8C9H91166.7°180.0°
H81C8C9H9257.3°60.0°
H82C8C9C1041.5°59.9°
H82C8C9H9183.8°60.1°
H82C8C9H92166.8°180.0°
C10C9H91H92116.8°120.0°
C9C10C11H101125.2°120.0°
C9C10C11H102125.2°120.0°
C9C10H101H102116.6°120.0°
C9C10C11H111180.0°180.0°
C9C10C11H11254.7°60.0°
C9C10C11H11354.7°60.0°
H91C9C10C11172.6°60.0°
H91C9C10H10162.1°180.0°
H91C9C10H10247.3°60.0°
H92C9C10C1163.1°60.0°
H92C9C10H101171.6°60.0°
H92C9C10H10262.2°180.0°
C11C10H101H102116.6°120.0°
C10C11H111H112125.3°120.0°
C10C11H111H113125.3°120.0°
C10C11H112H113116.6°120.0°
H101C10C11H11154.7°60.0°
H101C10C11H112179.9°60.0°
H101C10C11H11370.5°180.0°
H102C10C11H11154.8°60.0°
H102C10C11H11270.6°180.0°
H102C10C11H113180.0°60.0°
H111C11H112H113116.6°120.0°
N14C15C16C19120.1°120.0°
N14C15C16H15119.0°119.9°
N14C15C19H15119.2°120.0°
N14C15C16C1848.9°61.7°
N14C15C16C1771.9°178.3°
N14C15C16H16167.3°58.3°
N14C15C19O2035.4°35.1°
N14C15C19N21146.0°144.9°
H14N14C15C1662.5°90.0°
H14N14C15C1959.4°30.0°
H14N14C15H15179.5°150.0°
C16C15C19H15117.2°120.0°
C15C16C18C17118.3°120.0°
C15C16C18H16120.8°120.1°
C15C16C17H16120.8°120.0°
C15C16C18H181179.9°180.0°
C15C16C18H18254.8°60.0°
C15C16C18H18354.7°59.9°
C15C16C17H171180.0°58.1°
C15C16C17H17254.7°62.0°
C15C16C17H17354.7°178.0°
C16C15C19O2088.2°84.9°
C16C15C19N2190.4°95.1°
C19C15C16C1871.2°58.3°
C19C15C16C17168.1°61.6°
C19C15C16H1647.2°178.3°
C15C19O20N21178.6°180.0°
C15C19N21C22178.4°179.8°
C15C19N21C233.6°0.4°
H15C15C16C18167.9°178.4°
H15C15C16C1747.1°58.4°
H15C15C16H1673.8°61.6°
H15C15C19O20154.6°155.1°
H15C15C19N2126.7°24.9°
C18C16C17H16118.3°119.9°
C16C18H181H182125.2°120.0°
C16C18H181H183125.3°120.0°
C16C18H182H183117.6°119.9°
C18C16C17H17159.1°61.9°
C18C16C17H172175.6°178.0°
C18C16C17H17366.2°58.0°
C17C16C18H18161.7°60.0°
C17C16C18H18263.5°180.0°
C17C16C18H183173.0°60.0°
C16C17H171H172125.3°120.0°
C16C17H171H173125.3°120.0°
C16C17H172H173119.3°120.0°
H16C16C18H18159.2°60.0°
H16C16C18H182175.6°60.1°
H16C16C18H18366.1°180.0°
H16C16C17H17159.2°178.1°
H16C16C17H17266.1°58.1°
H16C16C17H173175.5°61.9°
H181C18H182H183117.7°120.0°
H171C17H172H173119.1°120.0°
O20C19N21C223.0°0.2°
O20C19N21C23177.8°179.6°
C19N21C22C23175.4°179.8°
C19N21C22C25157.1°178.8°
C19N21C22C2682.3°61.6°
C19N21C22H2233.7°59.5°
C19N21C23C24179.5°155.9°
C19N21C23H23154.2°37.0°
C19N21C23H23255.2°85.3°
N21C22C25C26122.6°119.9°
N21C22C25H22121.3°119.1°
N21C22C26H22121.5°121.0°
C22N21C23C244.2°24.3°
C22N21C23H231121.1°143.2°
C22N21C23H232129.5°94.5°
N21C22C25C2433.7°21.8°
N21C22C25H251159.0°140.4°
N21C22C25H25291.5°96.4°
N21C22C26O27168.9°179.5°
N21C22C26H26165.8°59.5°
N21C22C26H26243.5°60.5°
C23N21C22C2518.3°1.4°
C23N21C22C26102.3°118.2°
C23N21C22H22141.7°120.7°
N21C23C24H231125.3°118.8°
N21C23C24H232125.3°118.9°
N21C23H231H232120.6°122.3°
N21C23C24C2525.8°37.0°
N21C23C24H241151.1°81.0°
N21C23C24H24299.5°155.1°
C25C22C26H22123.5°121.0°
C22C25C24C2337.7°35.2°
C22C25C24H251125.3°118.6°
C22C25C24H252125.2°118.1°
C22C25C24H241162.9°82.8°
C22C25C24H24287.6°153.4°
C22C25H251H252120.3°123.0°
C25C22C26O2776.1°61.5°
C25C22C26H26149.2°58.5°
C25C22C26H262158.6°178.5°
C26C22C25C2488.9°141.7°
C26C22C25H25136.4°99.7°
C26C22C25H252145.9°23.5°
C22C26O27H261125.3°120.0°
C22C26O27H262125.3°120.0°
C22C26H261H262115.1°120.0°
C22C26O27H27180.0°180.0°
H22C22C25C24155.1°97.2°
H22C22C25H25179.7°21.3°
H22C22C25H25229.9°144.5°
H22C22C26O2747.4°59.6°
H22C22C26H261172.7°179.5°
H22C22C26H26277.9°60.5°
C24C23H231H232120.7°122.2°
C23C24C25H241125.2°118.1°
C23C24C25H242125.3°118.1°
C23C24H241H242119.7°124.0°
C23C24C25H251163.0°153.8°
C23C24C25H25287.6°82.9°
H231C23C24C2599.5°155.8°
H231C23C24H24125.8°37.8°
H231C23C24H242135.2°86.1°
H232C23C24C25151.1°81.9°
H232C23C24H24183.6°160.1°
H232C23C24H24225.8°36.2°
C25C24H241H242119.8°123.9°
C24C25H251H252120.2°123.2°
H241C24C25H25171.8°35.8°
H241C24C25H25237.6°159.0°
H242C24C25H25137.7°88.0°
H242C24C25H252147.2°35.2°
O27C26H261H262115.2°120.0°
H261C26O27H2754.7°60.0°
H262C26O27H2754.7°60.0°

222036

PDB entries from 2024-07-03

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