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MBM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1doub1.38Å1.40ÅAromatic
CN1sing1.32Å1.36ÅAromatic
NC3doub1.31Å1.37Å
NC10sing1.37Å1.40Å
OC4doub1.22Å1.23Å
C1C2sing1.38Å1.39ÅAromatic
N1C5doub1.32Å1.36ÅAromatic
O1C7sing1.34Å1.39ÅAromatic
O1C15sing1.35Å1.38ÅAromatic
C2C6doub1.40Å1.39ÅAromatic
N2C3sing1.38Å1.35Å
N2C4sing1.35Å1.36Å
O2C18doub1.21Å1.22Å
C3N3sing1.37Å1.40Å
N3C24sing1.46Å1.48Å
O3C23doub1.21Å1.25Å
C4C6sing1.48Å1.47Å
N4C16sing1.47Å1.46Å
N4C18sing1.35Å1.37Å
N4C19sing1.47Å1.48Å
C5C6sing1.40Å1.39ÅAromatic
N5C17sing1.47Å1.49Å
N5C23sing1.33Å1.38Å
N5C25sing1.47Å1.48Å
C7C8doub1.34Å1.38ÅAromatic
C7C9sing1.51Å1.47Å
C8C12sing1.47Å1.47ÅAromatic
C10C11doub1.39Å1.43ÅAromatic
C10C13sing1.40Å1.41ÅAromatic
C11C12sing1.39Å1.39ÅAromatic
C12C15doub1.41Å1.44ÅAromatic
C13C14doub1.38Å1.41ÅAromatic
C14C15sing1.39Å1.38ÅAromatic
C16C20sing1.54Å1.53Å
C17C18sing1.51Å1.52Å
C19C21sing1.55Å1.56Å
C20C21sing1.55Å1.51Å
C22C24sing1.53Å1.55Å
C22C26sing1.52Å1.55Å
C23C24sing1.51Å1.50Å
C25C27sing1.53Å1.56Å
C26C27sing1.52Å1.54Å
CHsing1.08Å1.08Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
N2HN2sing0.97Å1.00Å
N3HN3sing0.97Å1.00Å
C5H5sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C9H9Bsing1.09Å1.10Å
C11H11sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CN1123.2°121.1°
CC1C2117.7°119.3°
C1CH118.4°119.4°
CC1H1121.1°120.3°
CN1C5118.1°121.9°
N1CH118.4°119.5°
C3NC10121.3°120.0°
NC3N2125.4°120.0°
NC3N3121.0°120.0°
NC10C11115.9°120.0°
NC10C13119.5°120.1°
OC4N2126.1°120.0°
OC4C6120.2°120.0°
C1C2C6119.9°118.3°
C2C1H1121.1°120.4°
C1C2H2120.0°120.9°
N1C5C6122.0°120.6°
N1C5H5119.0°119.7°
C7O1C15107.2°110.9°
O1C7C8111.8°110.2°
O1C7C9116.5°124.9°
O1C15C12109.6°107.2°
O1C15C14125.2°133.2°
C2C6C4115.0°120.6°
C2C6C5119.0°118.8°
C6C2H2120.0°120.8°
C3N2C4122.4°120.0°
N2C3N3112.6°120.0°
C3N2HN2118.8°120.0°
N2C4C6113.2°120.1°
C4N2HN2118.8°120.0°
O2C18N4118.6°120.0°
O2C18C17122.3°120.0°
C3N3C24118.3°120.0°
C3N3HN3120.9°120.0°
N3C24C22108.8°109.7°
N3C24C23100.4°109.6°
C24N3HN3120.8°120.0°
N3C24H24117.0°109.6°
O3C23N5123.8°119.9°
O3C23C24121.6°119.9°
C4C6C5125.9°120.5°
C16N4C18120.2°125.6°
C16N4C19113.8°108.7°
N4C16C20104.4°107.3°
N4C16H16111.2°109.9°
N4C16H16A111.2°109.9°
C18N4C19126.0°125.6°
N4C18C17118.0°120.0°
N4C19C21103.1°104.8°
N4C19H19111.6°110.3°
N4C19H19A111.6°110.4°
C6C5H5119.0°119.7°
C17N5C23116.3°119.7°
C17N5C25118.6°119.8°
N5C17C18106.4°109.5°
N5C17H17110.5°109.4°
N5C17H17A110.5°109.5°
C23N5C25123.7°120.4°
N5C23C24114.5°120.2°
N5C25C27113.9°108.7°
N5C25H25108.0°109.6°
N5C25H25A108.0°109.6°
C8C7C9131.6°124.9°
C7C8C12106.0°106.2°
C7C8H8127.0°126.9°
C7C9H9109.5°109.4°
C7C9H9A109.5°109.5°
C7C9H9B109.5°109.5°
C8C12C11135.0°134.2°
C8C12C15105.4°105.5°
C12C8H8127.0°126.9°
C11C10C13124.4°119.9°
C10C11C12115.3°119.5°
C10C11H11122.3°120.3°
C10C13C14119.9°120.6°
C10C13H13120.1°119.7°
C11C12C15119.6°120.3°
C12C11H11122.3°120.2°
C12C15C14125.3°119.6°
C13C14C15115.5°120.2°
C14C13H13120.0°119.7°
C13C14H14122.3°120.0°
C15C14H14122.3°119.9°
C16C20C21107.4°102.9°
C20C16H16111.2°109.9°
C20C16H16A111.2°109.9°
C16C20H20110.2°110.7°
C16C20H20A110.2°110.7°
C18C17H17110.5°109.5°
C18C17H17A110.5°109.5°
C19C21C20106.1°101.5°
C21C19H19111.6°110.3°
C21C19H19A111.6°110.4°
C19C21H21110.6°111.0°
C19C21H21A110.6°111.0°
C21C20H20110.1°110.5°
C21C20H20A110.2°111.0°
C20C21H21110.6°110.9°
C20C21H21A110.6°111.2°
C24C22C26115.1°110.6°
C22C24C23113.4°108.5°
C24C22H22107.6°109.2°
C24C22H22A107.6°109.2°
C22C24H24104.8°109.8°
C22C26C27110.3°113.8°
C26C22H22107.6°109.3°
C26C22H22A107.6°109.3°
C22C26H26109.2°108.6°
C22C26H26A109.2°108.7°
C23C24H24112.7°109.6°
C25C27C26110.8°110.9°
C27C25H25108.0°109.6°
C27C25H25A108.0°109.6°
C25C27H27109.0°109.2°
C25C27H27A109.1°109.2°
C27C26H26109.2°108.6°
C27C26H26A109.2°108.6°
C26C27H27109.0°109.2°
C26C27H27A109.0°109.2°
H9C9H9A109.5°109.5°
H9C9H9B109.5°109.5°
H9AC9H9B109.5°109.5°
H16C16H16A107.7°110.0°
H17C17H17A108.4°109.5°
H19C19H19A107.2°110.5°
H20C20H20A108.8°110.8°
H21C21H21A108.3°110.9°
H22C22H22A111.2°109.2°
H25C25H25A110.9°109.8°
H26C26H26A109.7°108.4°
H27C27H27A109.9°109.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CN1H180.0°179.8°
CC1C2H1180.0°179.9°
C1CN1C52.2°0.1°
CC1C2C60.3°0.1°
CC1C2H2179.7°180.0°
N1CC1C22.0°0.1°
CN1C5C60.1°0.0°
N1CC1H1178.0°180.0°
CN1C5H5179.9°180.0°
NC3N2N3168.1°179.8°
NC3N2C414.4°172.8°
NC3N3C24171.5°27.6°
C3NC10C11132.9°117.9°
C3NC10C1342.2°62.1°
NC3N2HN2165.6°7.0°
NC3N3HN38.5°152.2°
C10NC3N2169.9°161.2°
C10NC3N32.8°19.0°
NC10C11C13174.8°179.9°
NC10C11C12178.1°180.0°
NC10C13C14177.3°179.9°
NC10C11H111.9°0.0°
NC10C13H132.7°0.0°
OC4C6C214.2°0.0°
OC4N2C323.6°3.3°
OC4N2C6171.6°179.9°
OC4C6C5168.4°180.0°
OC4N2HN2156.4°176.8°
C1C2C6H2180.0°179.9°
C1C2C6C4175.3°179.9°
C1C2C6C52.3°0.1°
C2C1CH178.0°179.7°
N1C5C6C22.1°0.0°
N1C5C6C4175.1°180.0°
N1C5C6H5180.0°180.0°
C5N1CH177.8°179.7°
O1C7C8C9177.1°180.0°
O1C7C8C122.2°0.0°
C7O1C15C120.2°0.0°
C7O1C15C14179.6°180.0°
O1C7C8H8177.7°180.0°
O1C7C9H90.0°0.0°
O1C7C9H9A120.0°120.0°
O1C7C9H9B120.0°120.0°
C15O1C7C81.3°0.0°
C15O1C7C9176.3°180.0°
O1C15C12C81.5°0.0°
O1C15C12C11179.9°180.0°
O1C15C12C14179.9°180.0°
O1C15C14C13179.1°179.9°
O1C15C14H140.9°0.1°
C2C6C4N2157.9°180.0°
C2C6C4C5177.4°180.0°
C6C2C1H1179.7°180.0°
C2C6C5H5177.9°180.0°
C3N2C4HN2180.0°179.9°
N2C3N3C242.8°152.2°
C3N2C4C6164.8°176.7°
N2C3N3HN3177.2°27.9°
C4N2C3N3177.5°7.3°
N2C4C6C519.4°0.0°
O2C18N4C169.2°0.0°
O2C18N4C17168.7°180.0°
O2C18N4C19167.4°179.6°
O2C18C17N58.2°0.1°
O2C18C17H17128.3°120.0°
O2C18C17H17A111.8°120.0°
C3N3C24HN3180.0°179.9°
C3N3C24C2286.1°149.3°
C3N3C24C23154.6°91.6°
N3C3N2HN22.4°172.8°
C3N3C24H2432.4°28.7°
N3C24C23O35.5°131.5°
N3C24C23N5173.6°48.6°
N3C24C22C23110.8°119.7°
N3C24C22H24125.9°120.5°
N3C24C22C26163.0°34.7°
N3C24C23H24125.2°120.4°
N3C24C22H2243.0°155.1°
N3C24C22H22A77.0°85.5°
O3C23N5C1710.2°0.2°
O3C23N5C24179.1°179.9°
O3C23N5C25176.1°179.5°
O3C23C24C22110.4°108.7°
O3C23C24H24130.8°11.2°
C4C6C2H24.7°0.1°
C6C4N2HN215.2°3.1°
C4C6C5H54.9°0.0°
C16N4C18C19176.6°179.6°
N4C16C20H16120.0°119.4°
N4C16C20H16A120.0°119.4°
C16N4C18C17177.9°180.0°
C16N4C19C219.1°24.1°
N4C16C20C2117.4°22.5°
N4C16H16H16A122.0°121.1°
C16N4C19H19129.1°94.7°
C16N4C19H19A110.9°142.9°
N4C16C20H20102.6°140.6°
N4C16C20H20A137.5°96.2°
N4C18C17N5176.5°180.0°
C18N4C16C20172.1°178.9°
C18N4C19C21174.2°155.6°
C18N4C16H1652.1°59.5°
C18N4C16H16A67.9°61.7°
N4C18C17H1763.5°60.1°
N4C18C17H17A56.5°60.0°
C18N4C19H1954.2°85.6°
C18N4C19H19A65.8°36.8°
C19N4C16C204.8°0.8°
C19N4C18C171.3°0.3°
N4C19C21H19120.0°118.8°
N4C19C21H19A120.0°118.9°
N4C19C21C2019.5°37.1°
C19N4C16H16124.8°120.2°
C19N4C16H16A115.2°118.6°
N4C19H19H19A122.6°122.3°
N4C19C21H21100.5°155.1°
N4C19C21H21A139.5°81.1°
C5C6C2H2177.7°179.9°
C17N5C23C25166.0°179.7°
N5C17C18H17120.0°119.9°
N5C17C18H17A120.0°120.1°
C17N5C23C24170.8°179.7°
C17N5C25C2799.2°108.0°
N5C17H17H17A121.2°120.0°
C17N5C25H2520.8°132.2°
C17N5C25H25A140.8°11.7°
C23N5C17C18109.6°90.1°
N5C23C24C2270.5°71.2°
C23N5C25C2766.5°72.3°
C23N5C17H17130.4°150.0°
C23N5C17H17A10.4°30.0°
N5C23C24H2448.3°168.9°
C23N5C25H25173.5°47.5°
C23N5C25H25A53.5°168.0°
C25N5C17C1883.6°90.2°
C25N5C23C244.8°0.6°
N5C25C27H25120.0°119.7°
N5C25C27H25A120.0°119.7°
N5C25C27C2685.9°86.5°
C25N5C17H1736.4°29.7°
C25N5C17H17A156.4°149.7°
N5C25H25H25A118.2°120.4°
N5C25C27H2734.1°153.2°
N5C25C27H27A154.1°33.9°
C7C8C12H8180.0°180.0°
C7C8C12C11179.7°180.0°
C7C8C12C152.2°0.0°
C8C7C9H9177.0°179.9°
C8C7C9H9A63.0°60.0°
C8C7C9H9B57.0°60.0°
C9C7C8C12174.9°180.0°
C9C7C8H85.1°0.1°
C7C9H9H9A120.0°120.0°
C7C9H9H9B120.0°120.0°
C7C9H9AH9B120.0°120.0°
C8C12C11C10175.8°180.0°
C8C12C11C15177.8°180.0°
C8C12C15C14178.3°180.0°
C8C12C11H114.2°0.0°
C10C11C12H11180.0°179.9°
C10C11C12C152.0°0.0°
C11C10C13C142.7°0.1°
C11C10C13H13177.3°180.0°
C13C10C11C123.4°0.1°
C10C13C14H13180.0°179.9°
C10C13C14C150.5°0.1°
C13C10C11H11176.7°180.0°
C10C13C14H14179.5°180.0°
C11C12C15C140.1°0.0°
C11C12C8H80.3°0.0°
C12C15C14C130.7°0.0°
C15C12C8H8177.7°180.0°
C15C12C11H11178.0°179.9°
C12C15C14H14179.3°179.9°
C13C14C15H14180.0°179.9°
C15C14C13H13179.5°180.0°
C16C20C21C1923.3°35.7°
C16C20C21H20120.0°118.2°
C16C20C21H20A120.0°118.4°
C20C16H16H16A122.1°121.1°
C16C20H20H20A120.8°123.2°
C16C20C21H2196.8°153.8°
C16C20C21H21A143.3°82.3°
C18C17H17H17A121.2°120.0°
C19C21C20H21120.0°118.0°
C19C21C20H21A120.0°118.0°
C21C19H19H19A122.6°122.3°
C19C21C20H2096.7°154.0°
C19C21C20H20A143.3°82.7°
C19C21H21H21A121.3°123.9°
C21C20C16H16137.4°96.9°
C21C20C16H16A102.5°141.9°
C20C21C19H19139.5°81.6°
C20C21C19H19A100.5°156.0°
C21C20H20H20A120.8°123.4°
C20C21H21H21A121.4°124.1°
C24C22C26H22120.0°120.3°
C24C22C26H22A120.0°120.2°
C22C24C23H24118.9°119.9°
C24C22C26C2764.5°66.8°
C22C24N3HN393.9°30.5°
C24C22H22H22A117.6°119.4°
C24C22C26H2655.5°172.1°
C24C22C26H26A175.5°54.3°
C26C22C24C2386.2°85.0°
C22C26C27C2564.7°66.9°
C22C26C27H26120.0°121.1°
C22C26C27H26A120.0°121.1°
C26C22H22H22A117.7°119.5°
C26C22C24H2437.1°155.3°
C22C26H26H26A119.7°117.9°
C22C26C27H2755.3°172.7°
C22C26C27H27A175.3°53.5°
C23C24N3HN325.4°88.5°
C23C24C22H22153.8°35.4°
C23C24C22H22A33.8°154.8°
C25C27C26H27120.0°120.4°
C25C27C26H27A120.0°120.4°
C27C25H25H25A118.2°120.5°
C25C27C26H2655.3°172.0°
C25C27C26H26A175.3°54.2°
C25C27H27H27A119.5°119.3°
C27C26C22H22175.5°53.5°
C27C26C22H22A55.5°173.0°
C26C27C25H25154.1°33.2°
C26C27C25H25A34.1°153.8°
C27C26H26H26A119.7°117.9°
C26C27H27H27A119.4°119.3°
HCC1H12.0°0.2°
H1C1C2H20.3°0.1°
HN3N3C24H24147.6°151.1°
H9C9H9AH9B120.0°120.1°
H13C13C14H140.5°0.1°
H16C16C20H2017.5°21.1°
H16C16C20H20A102.5°144.4°
H16AC16C20H20137.5°100.0°
H16AC16C20H20A17.5°23.3°
H19C19C21H2119.5°36.3°
H19C19C21H21A100.5°160.2°
H19AC19C21H21139.5°86.1°
H19AC19C21H21A19.5°37.8°
H20C20C21H21143.2°88.0°
H20C20C21H21A23.3°35.9°
H20AC20C21H2123.3°35.3°
H20AC20C21H21A96.7°159.3°
H22C22C24H2482.9°84.4°
H22C22C26H2664.5°67.6°
H22C22C26H26A55.5°174.6°
H22AC22C24H24157.1°35.0°
H22AC22C26H26175.5°51.9°
H22AC22C26H26A64.5°65.9°
H25C25C27H2785.9°87.1°
H25C25C27H27A34.1°153.7°
H25AC25C27H27154.1°33.4°
H25AC25C27H27A85.9°85.8°
H26C26C27H27175.3°51.6°
H26C26C27H27A64.8°67.6°
H26AC26C27H2764.7°66.1°
H26AC26C27H27A55.2°174.6°

222415

PDB entries from 2024-07-10

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