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5O1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23C22sing1.53Å1.52Å
C23C18sing1.53Å1.54Å
C16N5doub1.33Å1.36ÅAromatic
C16C15sing1.36Å1.37ÅAromatic
N5C17sing1.32Å1.35ÅAromatic
C22C21sing1.53Å1.52Å
C18C19sing1.53Å1.54Å
C18N6sing1.47Å1.46Å
C15C1doub1.41Å1.40ÅAromatic
C21C20sing1.53Å1.52Å
C17N6sing1.39Å1.37Å
C17Cdoub1.41Å1.44ÅAromatic
C19C20sing1.53Å1.52Å
C1Csing1.42Å1.39ÅAromatic
C1C2sing1.41Å1.43ÅAromatic
CN1sing1.33Å1.36ÅAromatic
C2Ndoub1.32Å1.31ÅAromatic
N1C3doub1.32Å1.33ÅAromatic
NC3sing1.33Å1.42ÅAromatic
C3N2sing1.38Å1.38Å
C5C6doub1.38Å1.38ÅAromatic
C5C4sing1.39Å1.39ÅAromatic
C6C7sing1.39Å1.39ÅAromatic
N2C4sing1.40Å1.40Å
C4C9doub1.39Å1.40ÅAromatic
C13C11doub1.36Å1.39ÅAromatic
C13N4sing1.35Å1.38ÅAromatic
C7C11sing1.48Å1.43Å
C7C8doub1.39Å1.39ÅAromatic
C14N4sing1.46Å1.47Å
C11C12sing1.41Å1.43ÅAromatic
N4N3sing1.40Å1.36ÅAromatic
C9C8sing1.38Å1.39ÅAromatic
C9Osing1.36Å1.37Å
C12N3doub1.31Å1.35ÅAromatic
OC10sing1.43Å1.40Å
C6H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
C10H3sing1.09Å1.10Å
C10H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C12H6sing1.08Å1.08Å
C13H7sing1.08Å1.08Å
C15H8sing1.08Å1.08Å
C18H9sing1.09Å1.10Å
C19H10sing1.09Å1.10Å
C19H11sing1.09Å1.10Å
C20H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C21H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C23H18sing1.09Å1.10Å
C23H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C14H21sing1.09Å1.10Å
C14H22sing1.09Å1.10Å
C5H23sing1.08Å1.08Å
N2H24sing0.97Å1.00Å
C2H25sing1.08Å1.08Å
C16H26sing1.08Å1.08Å
N6H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22C23C18109.5°109.5°
C23C22C21110.4°109.5°
C23C22H16109.2°109.5°
C23C22H17109.2°109.5°
C22C23H18109.5°109.5°
C22C23H19109.5°109.4°
C23C18C19108.9°109.5°
C23C18N6110.1°109.4°
C23C18H9109.6°109.5°
C18C23H18109.5°109.5°
C18C23H19109.5°109.5°
N5C16C15124.9°122.0°
C16N5C17117.6°122.7°
N5C16H26117.6°119.0°
C16C15C1117.4°118.7°
C16C15H8121.3°120.7°
C15C16H26117.5°119.0°
N5C17N6120.3°120.2°
N5C17C121.8°119.7°
C22C21C20109.8°109.4°
C22C21H14109.4°109.4°
C22C21H15109.4°109.4°
C21C22H16109.2°109.5°
C21C22H17109.3°109.5°
C19C18N6107.7°109.5°
C18C19C20108.8°109.5°
C19C18H9109.6°109.5°
C18C19H10109.6°109.5°
C18C19H11109.6°109.5°
C18N6C17123.6°120.0°
N6C18H9110.7°109.5°
C18N6H27105.8°120.0°
C15C1C120.4°118.5°
C15C1C2123.7°122.9°
C1C15H8121.3°120.6°
C21C20C19110.0°109.5°
C21C20H12109.3°109.5°
C21C20H13109.4°109.4°
C20C21H14109.4°109.5°
C20C21H15109.4°109.5°
N6C17C117.9°120.1°
C17N6H27105.8°120.1°
C17CC1117.9°118.4°
C17CN1118.1°122.8°
C20C19H10109.6°109.4°
C20C19H11109.6°109.5°
C19C20H12109.4°109.5°
C19C20H13109.3°109.5°
CC1C2115.8°118.6°
C1CN1124.0°118.8°
C1C2N123.0°118.3°
C1C2H25118.5°120.9°
CN1C3115.3°120.2°
C2NC3115.7°121.5°
NC2H25118.5°120.8°
N1C3N126.1°122.7°
N1C3N2120.8°118.7°
NC3N2113.0°118.7°
C3N2C4125.3°120.0°
C3N2H24117.4°120.0°
C6C5C4120.6°120.1°
C5C6C7121.5°120.1°
C5C6H1119.2°120.0°
C6C5H23119.7°119.9°
C5C4N2123.9°120.0°
C5C4C9117.6°120.1°
C4C5H23119.7°120.0°
C6C7C11120.0°120.0°
C6C7C8118.9°119.9°
C7C6H1119.3°120.0°
N2C4C9118.4°120.0°
C4N2H24117.4°120.0°
C4C9C8121.8°119.9°
C4C9O118.7°120.1°
C11C13N4106.0°107.6°
C13C11C7127.8°126.2°
C13C11C12105.5°107.6°
C11C13H7127.0°126.2°
C13N4C14125.8°125.9°
C13N4N3112.3°108.1°
N4C13H7127.0°126.2°
C11C7C8121.1°120.0°
C7C11C12126.7°126.2°
C7C8C9119.5°119.9°
C7C8H2120.3°120.1°
C14N4N3121.9°125.9°
N4C14H20109.5°109.4°
N4C14H21109.5°109.5°
N4C14H22109.4°109.5°
C11C12N3110.8°108.1°
C11C12H6124.6°125.9°
N4N3C12105.3°108.6°
C8C9O119.5°120.0°
C9C8H2120.2°120.0°
C9OC10113.9°117.0°
N3C12H6124.6°126.0°
OC10H3109.5°109.5°
OC10H4109.5°109.5°
OC10H5109.5°109.5°
H3C10H4109.4°109.5°
H3C10H5109.5°109.4°
H4C10H5109.5°109.5°
H10C19H11109.4°109.4°
H12C20H13109.4°109.4°
H14C21H15109.5°109.5°
H16C22H17109.5°109.5°
H18C23H19109.5°109.5°
H20C14H21109.5°109.5°
H20C14H22109.5°109.5°
H21C14H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22C23C18H18120.0°120.0°
C22C23C18H19120.0°120.0°
C23C22C21H16120.1°120.0°
C23C22C21H17120.1°120.0°
C22C23C18C1959.9°60.0°
C22C23C18N658.0°180.0°
C23C22C21C2058.3°60.0°
C22C23C18H9179.9°60.0°
C23C22C21H14178.3°180.0°
C23C22C21H1561.8°60.0°
C23C22H16H17119.5°120.0°
C22C23H18H19120.0°120.0°
C18C23C22C2158.7°60.0°
C23C18C19N6119.4°120.0°
C23C18C19H9120.0°120.0°
C23C18N6H9121.4°120.0°
C23C18N6C1788.0°85.0°
C23C18C19C2061.0°60.0°
C23C18C19H1059.0°180.0°
C23C18C19H11179.1°60.0°
C18C23C22H1661.4°60.0°
C18C23C22H17178.9°180.0°
C18C23H18H19120.0°120.0°
C23C18N6H2733.9°95.0°
N5C16C15H26180.0°179.1°
N5C16C15C10.0°0.6°
C16N5C17N6179.3°179.9°
C16N5C17C0.2°0.5°
N5C16C15H8180.0°179.5°
C15C16N5C170.0°0.9°
C16C15C1H8180.0°179.8°
C16C15C1C0.0°0.1°
C16C15C1C2180.0°179.7°
N5C17N6C188.0°0.1°
N5C17N6C179.5°179.5°
N5C17CC10.2°0.0°
N5C17CN1179.9°179.9°
C17N5C16H26180.0°180.0°
N5C17N6H27129.9°180.0°
C22C21C20H14120.1°120.0°
C22C21C20H15120.1°120.0°
C22C21C20C1959.4°60.0°
C22C21C20H1260.7°60.0°
C22C21C20H13179.5°180.0°
C22C21H14H15119.8°120.0°
C21C22H16H17119.6°120.0°
C21C22C23H1861.3°60.0°
C21C22C23H19178.7°180.0°
C19C18N6H9119.9°120.0°
C18C19C20C2160.9°60.0°
C19C18N6C17153.3°155.0°
C18C19C20H10119.9°120.0°
C18C19C20H11119.9°120.1°
C18C19H10H11120.3°120.0°
C18C19C20H1259.1°60.0°
C18C19C20H13178.9°180.0°
C19C18C23H1860.0°60.0°
C19C18C23H19179.9°180.0°
C19C18N6H2784.7°25.0°
C18N6C17H27121.9°179.9°
C18N6C17C172.5°179.5°
N6C18C19C2058.5°180.0°
N6C18C19H10178.4°60.0°
N6C18C19H1161.5°60.0°
N6C18C23H18178.0°60.0°
N6C18C23H1962.0°60.0°
C15C1CC170.2°0.2°
C15C1CC2180.0°179.9°
C15C1CN1180.0°179.7°
C15C1C2N180.0°179.8°
C15C1C2H250.0°0.2°
C1C15C16H26180.0°179.7°
C21C20C19H12120.1°120.0°
C21C20C19H13120.1°120.0°
C21C20C19H1059.0°180.0°
C21C20C19H11179.1°60.0°
C21C20H12H13119.8°119.9°
C20C21H14H15119.8°120.1°
C20C21C22H1661.9°60.0°
C20C21C22H17178.4°180.0°
N6C17CC1179.2°179.6°
N6C17CN10.7°0.5°
C17N6C18H933.4°35.0°
C17CC1N1179.9°179.9°
C17CC1C2179.9°180.0°
C17CN1C3179.8°180.0°
CC17N6H2750.6°0.5°
C20C19C18H9179.1°60.0°
C20C19H10H11120.3°120.0°
C19C20H12H13119.7°120.1°
C19C20C21H14179.5°180.0°
C19C20C21H1560.6°60.0°
CC1C2N0.1°0.1°
C1CN1C30.1°0.1°
CC1C15H8180.0°180.0°
CC1C2H25179.9°179.9°
C2C1CN10.0°0.1°
C1C2NH25180.0°180.0°
C1C2NC30.1°0.1°
C2C1C15H80.0°0.1°
CN1C3N0.1°0.1°
CN1C3N2179.9°180.0°
C2NC3N10.0°0.0°
C2NC3N2180.0°180.0°
N1C3NN2180.0°179.9°
N1C3N2C44.1°174.1°
N1C3N2H24175.9°5.9°
NC3N2C4175.9°6.0°
NC3N2H244.1°174.1°
C3NC2H25179.9°180.0°
C3N2C4C538.5°33.7°
C3N2C4H24180.0°180.0°
C3N2C4C9142.0°145.7°
C6C5C4H23180.0°179.5°
C5C6C7H1180.0°179.7°
C6C5C4N2178.8°180.0°
C6C5C4C90.7°0.5°
C5C6C7C11177.3°179.7°
C5C6C7C81.0°0.3°
C4C5C6C70.3°0.5°
C5C4N2C9179.5°179.5°
C5C4C9C81.1°0.3°
C5C4C9O177.5°179.7°
C4C5C6H1179.7°179.7°
C5C4N2H24141.5°146.2°
C6C7C11C1339.5°0.3°
C6C7C11C8178.2°180.0°
C6C7C11C12138.9°179.9°
C6C7C8C90.6°0.0°
C6C7C8H2179.4°180.0°
C7C6C5H23179.7°180.0°
N2C4C9C8178.5°179.7°
N2C4C9O2.9°0.2°
N2C4C5H231.2°0.5°
C4C9C8C70.4°0.0°
C4C9C8O178.6°180.0°
C4C9OC10127.8°180.0°
C4C9C8H2179.6°180.0°
C9C4C5H23179.3°180.0°
C9C4N2H2438.0°34.3°
C11C13N4H7180.0°179.9°
C13C11C7C12178.4°179.6°
C13C11C7C8142.3°179.7°
C11C13N4C14179.7°180.0°
C11C13N4N30.2°0.2°
C13C11C12N30.2°0.3°
C13C11C12H6179.8°179.7°
N4C13C11C7178.5°180.0°
C13N4C14N3179.9°179.8°
N4C13C11C120.2°0.3°
C13N4N3C120.1°0.0°
C13N4C14H20179.9°90.1°
C13N4C14H2159.9°149.9°
C13N4C14H2260.1°29.9°
C11C7C8C9177.6°180.0°
C7C11C12N3178.6°180.0°
C11C7C6H12.7°0.0°
C11C7C8H22.4°0.0°
C7C11C12H61.4°0.0°
C7C11C13H71.5°0.1°
C8C7C11C1239.3°0.1°
C7C8C9H2180.0°180.0°
C7C8C9O178.2°180.0°
C8C7C6H1179.0°180.0°
C14N4N3C12179.8°179.8°
C14N4C13H70.4°0.0°
N4C14H20H21120.0°120.0°
N4C14H20H22120.0°120.0°
N4C14H21H22120.0°120.0°
C11C12N3N40.1°0.2°
C11C12N3H6180.0°180.0°
C12C11C13H7179.8°179.7°
N4N3C12H6179.9°179.9°
N3N4C13H7179.8°179.8°
N3N4C14H200.0°90.2°
N3N4C14H21120.0°29.8°
N3N4C14H22120.0°149.9°
C8C9OC1053.6°0.0°
OC9C8H21.8°0.1°
C9OC10H3180.0°180.0°
C9OC10H460.0°60.0°
C9OC10H560.0°60.1°
OC10H3H4120.0°120.1°
OC10H3H5120.0°120.0°
OC10H4H5120.0°120.0°
H1C6C5H230.3°0.2°
H3C10H4H5120.0°119.9°
H8C15C16H260.0°0.4°
H9C18C19H1061.0°60.0°
H9C18C19H1159.1°180.0°
H9C18C23H1859.9°180.0°
H9C18C23H1960.1°60.0°
H9C18N6H27155.4°145.0°
H10C19C20H12179.0°60.0°
H10C19C20H1361.2°60.0°
H11C19C20H1260.8°179.9°
H11C19C20H1359.0°59.9°
H12C20C21H1459.4°60.0°
H12C20C21H15179.3°180.0°
H13C20C21H1460.4°60.0°
H13C20C21H1559.5°60.1°
H14C21C22H1658.2°60.0°
H14C21C22H1761.5°60.0°
H15C21C22H16178.1°180.0°
H15C21C22H1758.4°60.0°
H16C22C23H18178.6°180.0°
H16C22C23H1958.6°60.0°
H17C22C23H1858.9°60.0°
H17C22C23H1961.1°60.0°
H20C14H21H22120.0°120.0°

223166

PDB entries from 2024-07-31

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