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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.52Å
CHsing1.09Å1.10Å
CHAsing1.09Å1.10Å
CHBsing1.09Å1.10Å
C23Nsing1.47Å1.46Å
C2Nsing1.34Å1.34Å
NC3sing1.46Å1.46Å
OC2doub1.21Å1.22Å
CLC22sing1.74Å1.71Å
C2C1sing1.50Å1.53Å
C1N1sing1.47Å1.48Å
C1H1sing1.09Å1.10Å
N1C4sing1.47Å1.47Å
N1C5sing1.47Å1.48Å
C6O1sing1.43Å1.44Å
O1C7sing1.36Å1.37Å
C15N2sing1.47Å1.47Å
C16N2sing1.47Å1.47Å
N2C18sing1.39Å1.38Å
C3C4sing1.53Å1.50Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C21N3doub1.32Å1.32ÅAromatic
N3N4sing1.29Å1.39ÅAromatic
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C22N4doub1.31Å1.32ÅAromatic
C5C6sing1.53Å1.53Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
N6N5sing1.40Å1.41ÅAromatic
N5C21sing1.37Å1.39ÅAromatic
N5C22sing1.35Å1.38ÅAromatic
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C18N6doub1.31Å1.31ÅAromatic
C7C8doub1.39Å1.39ÅAromatic
C7C12sing1.39Å1.39ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C8H8sing1.08Å1.08Å
C9C10doub1.38Å1.39ÅAromatic
C9H9sing1.08Å1.08Å
C11C10sing1.38Å1.40ÅAromatic
C10C13sing1.51Å1.52Å
C12C11doub1.38Å1.39ÅAromatic
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C13C14sing1.54Å1.53Å
C13C17sing1.53Å1.53Å
C13H13sing1.09Å1.10Å
C14C15sing1.53Å1.53Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C17C16sing1.53Å1.53Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C18C19sing1.41Å1.42ÅAromatic
C19C20doub1.36Å1.35ÅAromatic
C19H19sing1.08Å1.08Å
C20C21sing1.41Å1.42ÅAromatic
C20H20sing1.08Å1.08Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C23H23Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CH109.5°109.5°
C1CHA109.5°109.4°
C1CHB109.4°109.5°
CC1C2110.1°109.4°
CC1N1112.3°109.4°
CC1H1106.7°109.4°
HCHA109.5°109.5°
HCHB109.5°109.5°
HACHB109.5°109.5°
C23NC2119.8°118.5°
C23NC3115.0°118.5°
NC23H23109.5°109.5°
NC23H23A109.5°109.5°
NC23H23B109.5°109.5°
C2NC3125.2°123.0°
NC2O122.6°118.7°
NC2C1120.1°122.7°
NC3C4106.1°110.0°
NC3H3110.3°109.4°
NC3H3A110.3°109.4°
OC2C1117.3°118.6°
CLC22N4126.7°126.2°
CLC22N5124.7°126.2°
C2C1N1113.4°110.0°
C2C1H1106.7°109.3°
N1C1H1107.3°109.4°
C1N1C4113.1°110.2°
C1N1C5113.6°111.0°
C4N1C5112.0°111.0°
N1C4C3111.0°108.7°
N1C4H4109.1°109.6°
N1C4H4A109.1°109.6°
N1C5C6116.3°109.5°
N1C5H5107.7°109.5°
N1C5H5A107.7°109.4°
C6O1C7121.5°117.0°
O1C6C5105.7°109.5°
O1C6H6110.4°109.5°
O1C6H6A110.4°109.4°
O1C7C8118.0°120.0°
O1C7C12122.0°120.1°
C15N2C16113.4°118.7°
C15N2C18120.8°120.6°
N2C15C14111.5°108.8°
N2C15H15108.9°109.6°
N2C15H15A108.9°109.6°
C16N2C18123.7°120.7°
N2C16C17111.4°108.8°
N2C16H16109.0°109.6°
N2C16H16A109.0°109.6°
N2C18N6113.5°119.6°
N2C18C19119.3°119.6°
C4C3H3110.3°109.3°
C4C3H3A110.3°109.4°
C3C4H4109.1°109.6°
C3C4H4A109.1°109.6°
H3C3H3A109.5°109.3°
C21N3N4106.9°109.3°
N3C21N5109.5°106.9°
N3C21C20133.4°133.8°
N3N4C22109.3°110.2°
H4C4H4A109.5°109.8°
N4C22N5108.5°107.7°
C6C5H5107.8°109.5°
C6C5H5A107.8°109.5°
C5C6H6110.4°109.5°
C5C6H6A110.4°109.5°
H5C5H5A109.5°109.5°
N6N5C21126.8°120.1°
N6N5C22127.5°133.9°
N5N6C18111.5°120.5°
C21N5C22105.7°106.0°
N5C21C20117.1°119.3°
H6C6H6A109.5°109.5°
N6C18C19127.2°120.8°
C8C7C12119.8°119.9°
C7C8C9119.8°120.0°
C7C8H8120.1°120.0°
C7C12C11119.6°119.9°
C7C12H12120.2°120.0°
C9C8H8120.1°120.0°
C8C9C10121.3°120.1°
C8C9H9119.4°120.0°
C10C9H9119.4°120.0°
C9C10C11118.2°120.1°
C9C10C13119.6°119.9°
C11C10C13122.1°120.0°
C10C11C12121.1°120.1°
C10C11H11119.4°120.0°
C10C13C14115.5°109.4°
C10C13C17113.9°109.6°
C10C13H13105.8°109.5°
C12C11H11119.4°119.9°
C11C12H12120.2°120.1°
C14C13C17109.2°109.7°
C14C13H13105.7°109.4°
C13C14C15110.7°109.2°
C13C14H14109.2°109.4°
C13C14H14A109.2°109.5°
C17C13H13105.7°109.2°
C13C17C16111.0°109.3°
C13C17H17109.1°109.5°
C13C17H17A109.1°109.4°
C15C14H14109.2°109.6°
C15C14H14A109.2°109.6°
C14C15H15109.0°109.6°
C14C15H15A108.9°109.6°
H14C14H14A109.5°109.5°
H15C15H15A109.5°109.7°
C17C16H16109.0°109.6°
C17C16H16A109.0°109.7°
C16C17H17109.1°109.3°
C16C17H17A109.1°109.7°
H16C16H16A109.5°109.5°
H17C17H17A109.5°109.6°
C18C19C20119.3°120.1°
C18C19H19120.3°119.9°
C20C19H19120.3°119.9°
C19C20C21118.1°119.1°
C19C20H20121.0°120.4°
C21C20H20120.9°120.4°
H23C23H23A109.5°109.4°
H23C23H23B109.5°109.5°
H23AC23H23B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CHHA120.0°119.9°
C1CHHB120.0°120.0°
C1CHAHB120.0°120.0°
CC1C2N127.5°137.3°
CC1C2O54.6°42.7°
CC1C2N1126.7°120.1°
CC1C2H1115.4°119.8°
CC1N1H1116.9°119.8°
CC1N1C4155.5°170.5°
CC1N1C575.3°66.2°
HCHAHB120.0°120.1°
HCC1C2180.0°179.4°
HCC1N152.7°60.0°
HCC1H164.6°59.7°
HACC1C260.0°59.5°
HACC1N1172.7°180.0°
HACC1H155.4°60.2°
HBCC1C260.0°60.5°
HBCC1N167.4°60.0°
HBCC1H1175.4°179.8°
C23NC2C3179.2°179.7°
C23NC2O0.6°1.4°
C23NC2C1178.4°178.6°
C23NC3C4150.1°162.1°
C23NC3H390.5°77.7°
C23NC3H3A30.6°42.0°
NC23H23H23A120.0°120.0°
NC23H23H23B120.0°120.0°
NC23H23AH23B120.0°120.0°
NC2OC1177.8°180.0°
NC2C1N10.8°17.2°
NC2C1H1117.0°102.9°
C2NC3C430.7°18.1°
C2NC3H388.8°102.0°
C2NC3H3A150.1°138.3°
C2NC23H23180.0°89.8°
C2NC23H23A60.0°30.2°
C2NC23H23B60.0°150.2°
C3NC2O179.8°178.3°
C3NC2C12.4°1.6°
NC3C4N158.8°50.3°
NC3C4H3119.5°120.2°
NC3C4H3A119.5°120.2°
NC3H3H3A121.6°119.7°
NC3C4H461.4°69.5°
NC3C4H4A179.0°170.1°
C3NC23H230.7°90.0°
C3NC23H23A119.3°150.0°
C3NC23H23B120.7°30.1°
OC2C1N1178.7°162.8°
OC2C1H160.8°77.1°
CLC22N4N3178.2°180.0°
CLC22N4N5176.8°179.9°
CLC22N5N62.7°0.1°
CLC22N5C21179.1°180.0°
C2C1N1H1117.5°120.0°
C2C1N1C430.0°50.3°
C2C1N1C5159.2°173.6°
C1N1C4C5130.0°123.4°
C1N1C4C361.5°69.0°
C1N1C4H458.7°50.7°
C1N1C4H4A178.3°171.2°
C1N1C5C674.7°162.2°
C1N1C5H546.3°77.8°
C1N1C5H5A164.3°42.2°
H1C1N1C487.5°69.7°
H1C1N1C541.6°53.6°
N1C4C3H4120.2°119.7°
N1C4C3H4A120.2°119.8°
N1C4C3H360.7°69.9°
N1C4C3H3A178.3°170.4°
N1C4H4H4A119.3°120.5°
C4N1C5C655.0°74.9°
C4N1C5H5176.0°45.1°
C4N1C5H5A65.9°165.1°
N1C5C6O166.8°67.6°
C5N1C4C3168.5°167.6°
C5N1C4H471.3°72.6°
C5N1C4H4A48.3°47.9°
N1C5C6H5121.0°120.0°
N1C5C6H5A121.0°119.9°
N1C5H5H5A116.9°120.0°
N1C5C6H6173.8°52.5°
N1C5C6H6A52.6°172.5°
O1C6C5H6119.4°120.1°
O1C6C5H6A119.4°119.9°
O1C6C5H5172.3°52.5°
O1C6C5H5A54.2°172.5°
O1C6H6H6A121.7°120.0°
C6O1C7C8179.8°180.0°
C6O1C7C124.1°0.3°
C7O1C6C5179.1°180.0°
C7O1C6H659.7°59.9°
C7O1C6H6A61.5°60.1°
O1C7C8C12176.1°179.7°
O1C7C8C9179.4°180.0°
O1C7C8H80.6°0.1°
O1C7C12C11179.4°179.8°
O1C7C12H120.6°0.0°
C15N2C16C18163.8°179.8°
C15N2C18N6171.6°174.7°
N2C15C14C1355.4°54.6°
N2C15C14H15120.3°119.8°
N2C15C14H15A120.3°119.8°
N2C15C14H14175.6°174.4°
N2C15C14H14A64.7°65.4°
N2C15H15H15A119.0°120.3°
C15N2C16C1754.6°53.8°
C15N2C16H1665.7°66.0°
C15N2C16H16A174.9°173.8°
C15N2C18C198.8°5.4°
C16N2C18N68.9°5.1°
N2C16C17C1355.4°54.6°
C16N2C15C1454.7°53.8°
C16N2C15H15175.0°173.7°
C16N2C15H15A65.6°66.0°
N2C16C17H16120.3°119.8°
N2C16C17H16A120.3°119.9°
N2C16H16H16A119.1°120.3°
N2C16C17H1764.8°65.2°
N2C16C17H17A175.6°174.7°
C16N2C18C19171.5°174.9°
N2C18N6N5177.8°180.0°
N2C18N6C19179.6°179.9°
C18N2C15C14109.7°126.4°
C18N2C15H1510.7°6.6°
C18N2C15H15A130.1°113.8°
C18N2C16C17109.2°126.4°
C18N2C16H16130.5°113.8°
C18N2C16H16A11.0°6.4°
N2C18C19C20177.9°180.0°
N2C18C19H192.0°0.1°
C4C3H3H3A121.6°119.7°
C3C4H4H4A119.3°120.3°
H3C3C4H4179.1°170.4°
H3C3C4H4A59.6°49.9°
H3AC3C4H458.1°50.7°
H3AC3C4H4A61.5°69.8°
C21N3N4C220.0°0.0°
N3C21N5N6179.5°180.0°
N3C21N5C20179.9°180.0°
N3C21N5C222.2°0.0°
N3C21C20C19179.8°180.0°
N3C21C20H200.2°0.1°
N4N3C21N51.4°0.0°
N3N4C22N51.4°0.0°
N4N3C21C20178.7°180.0°
N4C22N5N6179.6°180.0°
N4C22N5C212.2°0.0°
C6C5H5H5A116.9°120.0°
C5C6H6H6A121.8°120.0°
H5C5C6H652.9°172.5°
H5C5C6H6A68.3°67.4°
H5AC5C6H665.2°67.4°
H5AC5C6H6A173.6°52.6°
N6N5C21C22178.3°180.0°
N5N6C18C192.6°0.1°
N6N5C21C200.4°0.0°
C21N5N6C181.6°0.0°
N5C21C20C190.0°0.0°
N5C21C20H20179.9°180.0°
C22N5N6C18176.3°179.9°
C22N5C21C20177.9°180.0°
N6C18C19C202.5°0.1°
N6C18C19H19177.5°180.0°
C7C8C9H8180.0°179.9°
C7C8C9C102.7°0.1°
C7C8C9H9177.3°180.0°
C8C7C12C113.4°0.6°
C8C7C12H12176.5°179.7°
C12C7C8C93.3°0.3°
C12C7C8H8176.7°179.8°
C7C12C11C102.9°0.6°
C7C12C11H12180.0°179.8°
C7C12C11H11177.1°179.7°
C8C9C10H9180.0°179.9°
C8C9C10C112.1°0.1°
C8C9C10C13179.5°180.0°
H8C8C9C10177.3°180.0°
H8C8C9H92.7°0.1°
C9C10C11C13178.3°180.0°
C9C10C11C122.2°0.3°
C9C10C11H11177.8°179.9°
C9C10C13C14172.3°120.0°
C9C10C13C1760.0°119.7°
C9C10C13H1355.7°0.1°
H9C9C10C11177.9°180.0°
H9C9C10C130.5°0.0°
C10C11C12H11180.0°179.7°
C10C11C12H12177.1°179.7°
C11C10C13C146.0°60.0°
C11C10C13C17121.7°60.3°
C11C10C13H13122.6°180.0°
C13C10C11C12179.4°179.7°
C13C10C11H110.5°0.0°
C10C13C14C17130.0°120.2°
C10C13C14H13116.6°120.0°
C10C13C17H13115.7°119.9°
C10C13C14C15173.7°178.6°
C10C13C14H1453.6°58.7°
C10C13C14H14A66.1°61.4°
C10C13C17C16172.7°178.7°
C10C13C17H1767.0°61.6°
C10C13C17H17A52.5°58.5°
H11C11C12H122.9°0.1°
C14C13C17H13113.4°119.9°
C13C14C15H14120.2°119.9°
C13C14C15H14A120.2°120.0°
C13C14H14H14A119.4°120.1°
C13C14C15H15175.7°174.4°
C13C14C15H15A64.9°65.2°
C14C13C17C1656.4°61.1°
C14C13C17H1763.8°58.5°
C14C13C17H17A176.6°178.7°
C17C13C14C1556.2°61.1°
C17C13C14H14176.4°178.9°
C17C13C14H14A63.9°58.9°
C13C17C16H17120.2°119.8°
C13C17C16H17A120.2°120.0°
C13C17C16H1664.9°65.2°
C13C17C16H16A175.7°174.5°
C13C17H17H17A119.3°120.1°
H13C13C14C1557.1°58.6°
H13C13C14H1463.0°61.3°
H13C13C14H14A177.3°178.6°
H13C13C17C1657.0°58.8°
H13C13C17H17177.2°178.5°
H13C13C17H17A63.2°61.4°
C15C14H14H14A119.5°120.2°
C14C15H15H15A119.1°120.4°
H14C14C15H1564.1°65.8°
H14C14C15H15A55.3°54.6°
H14AC14C15H1555.6°54.4°
H14AC14C15H15A175.0°174.8°
C17C16H16H16A119.1°120.4°
C16C17H17H17A119.3°120.3°
H16C16C17H17174.9°175.0°
H16C16C17H17A55.3°54.8°
H16AC16C17H1755.5°54.7°
H16AC16C17H17A64.1°65.4°
C18C19C20H19180.0°179.9°
C18C19C20C211.0°0.0°
C18C19C20H20179.0°179.9°
C19C20C21H20180.0°180.0°
H19C19C20C21179.1°179.9°
H19C19C20H200.9°0.0°
H23C23H23AH23B120.0°120.0°

223532

PDB entries from 2024-08-07

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