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0EV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13N6sing1.46Å1.45Å
N6C12sing1.38Å1.34Å
C12N4sing1.37Å1.37ÅAromatic
C12N5doub1.31Å1.31ÅAromatic
N1C1sing1.47Å1.47Å
N1C2sing1.47Å1.47Å
N4C11sing1.38Å1.37ÅAromatic
N5C10sing1.36Å1.37ÅAromatic
C2C3sing1.53Å1.54Å
C11C10doub1.41Å1.39ÅAromatic
C11C4sing1.38Å1.41ÅAromatic
C3C4sing1.51Å1.51Å
C10C9sing1.39Å1.40ÅAromatic
C4C5doub1.39Å1.42ÅAromatic
C9C8doub1.39Å1.40ÅAromatic
C5C8sing1.42Å1.41ÅAromatic
C5N2sing1.36Å1.41Å
C8C7sing1.47Å1.47Å
N2C6doub1.30Å1.29Å
C7O1doub1.22Å1.23Å
C7N3sing1.35Å1.37Å
C6N3sing1.36Å1.36Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
N1H3sing1.01Å1.00Å
C2H5sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C3H8sing1.09Å1.10Å
C6H9sing1.08Å1.08Å
N3H10sing0.97Å1.00Å
C9H11sing1.08Å1.08Å
N4H12sing0.97Å1.00Å
N6H14sing0.97Å1.00Å
C13H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C1C14sing1.53Å26.69Å
C14C15sing1.53Å0.00Å
C15C16sing1.53Å0.00Å
C16C17sing1.53Å0.00Å
C17C18sing1.53Å0.00Å
C18C19sing1.53Å0.00Å
C19C14sing1.53Å0.00Å
C13C20sing1.53Å29.91Å
C20C21sing1.51Å0.00Å
C21C22sing1.38Å0.00ÅAromatic
C22C23doub1.38Å0.00ÅAromatic
C23C24sing1.38Å0.00ÅAromatic
C24C25doub1.38Å0.00ÅAromatic
C25C26sing1.38Å0.00ÅAromatic
C26C21doub1.38Å0.00ÅAromatic
C14H4sing1.09Å0.00Å
C15H13sing1.09Å0.00Å
C15H17sing1.09Å0.00Å
C16H18sing1.09Å0.00Å
C16H19sing1.09Å0.00Å
C17H20sing1.09Å0.00Å
C17H21sing1.09Å0.00Å
C18H22sing1.09Å0.00Å
C18H23sing1.09Å0.00Å
C19H24sing1.09Å0.00Å
C19H25sing1.09Å0.00Å
C20H26sing1.09Å0.00Å
C20H27sing1.09Å0.00Å
C22H28sing1.08Å0.00Å
C23H29sing1.08Å0.00Å
C24H30sing1.08Å0.00Å
C25H31sing1.08Å0.00Å
C26H32sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13N6C12125.8°120.0°
C13N6H14105.3°120.0°
N6C13H1599.9°109.5°
N6C13H1699.9°109.4°
N6C13C20145.1°109.5°
N6C12N4121.4°125.0°
N6C12N5128.1°125.0°
C12N6H14105.3°120.0°
N4C12N5110.5°110.0°
C12N4C11108.8°107.3°
C12N4H12125.6°126.3°
C12N5C10105.9°109.6°
C1N1C2111.5°111.0°
N1C1H1109.6°109.5°
N1C1H2109.6°109.5°
C1N1H3109.0°111.1°
N1C1C14109.0°109.5°
N1C2C3111.0°109.5°
C2N1H3109.0°111.0°
N1C2H5109.1°109.4°
N1C2H6109.1°109.5°
N4C11C10103.7°106.0°
N4C11C4131.4°133.3°
C11N4H12125.6°126.4°
N5C10C11110.8°107.1°
N5C10C9129.7°132.9°
C2C3C4112.1°109.5°
C3C2H5109.1°109.5°
C3C2H6109.1°109.5°
C2C3H7108.8°109.5°
C2C3H8108.8°109.5°
C10C11C4124.8°120.7°
C11C10C9119.4°120.0°
C11C4C3122.3°120.2°
C11C4C5115.3°119.7°
C3C4C5122.1°120.1°
C4C3H7108.8°109.5°
C4C3H8108.8°109.4°
C10C9C8117.6°119.4°
C10C9H11121.2°120.3°
C4C5C8120.3°119.8°
C4C5N2118.3°121.3°
C9C8C5122.5°120.4°
C9C8C7119.8°121.6°
C8C9H11121.2°120.3°
C8C5N2121.4°118.9°
C5C8C7117.5°117.9°
C5N2C6118.4°121.7°
C8C7O1123.5°121.3°
C8C7N3115.7°117.5°
N2C6N3124.0°123.4°
N2C6H9118.0°118.4°
O1C7N3120.7°121.3°
C7N3C6122.8°120.7°
C7N3H10118.6°119.7°
N3C6H9118.0°118.3°
C6N3H10118.6°119.7°
H1C1H2109.5°109.5°
H1C1C14109.6°109.5°
H2C1C14109.6°109.5°
H5C2H6109.5°109.5°
H7C3H8109.5°109.4°
H15C13H16109.5°109.4°
H15C13C20100.0°109.5°
H16C13C20100.0°109.5°
C1C14C1590.0°109.5°
C1C14C1990.0°109.4°
C1C14H490.0°109.5°
C14C15C1690.0°109.4°
C15C14C1990.0°109.5°
C15C14H490.0°109.4°
C14C15H1390.0°109.5°
C14C15H1790.0°109.5°
C15C16C1790.0°109.5°
C16C15H1390.0°109.5°
C16C15H1790.0°109.5°
C15C16H1890.0°109.5°
C15C16H1990.0°109.4°
C16C17C1890.0°109.5°
C17C16H1890.0°109.5°
C17C16H1990.0°109.5°
C16C17H2090.0°109.4°
C16C17H2190.0°109.5°
C17C18C1990.0°109.4°
C18C17H2090.0°109.4°
C18C17H2190.0°109.5°
C17C18H2290.0°109.5°
C17C18H2390.0°109.5°
C18C19C1490.0°109.5°
C19C18H2290.0°109.5°
C19C18H2390.0°109.5°
C18C19H2490.0°109.5°
C18C19H2590.0°109.5°
C19C14H490.0°109.5°
C14C19H2490.0°109.5°
C14C19H2590.0°109.4°
C13C20C2190.0°109.5°
C13C20H2690.0°109.5°
C13C20H2790.0°109.5°
C20C21C2290.0°120.0°
C20C21C2690.0°120.0°
C21C20H2690.0°109.4°
C21C20H2790.0°109.5°
C21C22C2390.0°120.0°
C22C21C2690.0°120.0°
C21C22H2890.0°120.0°
C22C23C2490.0°120.0°
C23C22H2890.0°120.0°
C22C23H2990.0°120.0°
C23C24C2590.0°120.0°
C24C23H2990.0°120.0°
C23C24H3090.0°120.0°
C24C25C2690.0°120.0°
C25C24H3090.0°120.0°
C24C25H3190.0°119.9°
C25C26C2190.0°120.0°
C26C25H3190.0°120.0°
C25C26H3290.0°120.0°
C21C26H3290.0°120.0°
H13C15H1790.0°109.5°
H18C16H1990.0°109.5°
H20C17H2190.0°109.5°
H22C18H2390.0°109.5°
H24C19H2590.0°109.5°
H26C20H2790.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13N6C12H14122.2°179.9°
C13N6C12N42.5°0.0°
C13N6C12N5178.0°179.7°
N6C13H15H16104.3°119.9°
N6C13H15C20151.2°120.1°
N6C13H16C20151.2°120.0°
N6C13C20C2190.0°180.0°
N6C13C20H2690.0°60.0°
N6C13C20H2790.0°60.0°
N6C12N4N5179.6°179.7°
N6C12N4C11178.7°180.0°
N6C12N5C10176.9°179.8°
N6C12N4H121.3°0.0°
C12N6C13H1571.8°59.9°
C12N6C13H16176.2°60.0°
C12N6C13C2052.2°180.0°
C12N4C11H12180.0°180.0°
N4C12N5C102.7°0.5°
C12N4C11C101.2°0.0°
C12N4C11C4178.0°179.2°
N4C12N6H14119.7°179.9°
N5C12N4C110.9°0.3°
C12N5C10C113.5°0.5°
C12N5C10C9179.9°179.9°
N5C12N4H12179.0°179.7°
N5C12N6H1459.8°0.3°
C1N1C2H3120.3°124.0°
C1N1C2C376.6°180.0°
N1C1H1H2120.2°120.1°
N1C1H1C14119.6°120.0°
N1C1H2C14119.6°120.0°
C1N1C2H543.7°60.0°
C1N1C2H6163.2°60.0°
N1C1C14C1590.0°175.0°
N1C1C14C1990.0°65.0°
N1C1C14H490.0°55.0°
N1C2C3H5120.2°120.0°
N1C2C3H6120.2°120.1°
N1C2C3C4149.7°180.0°
C2N1C1H130.2°60.0°
C2N1C1H289.9°60.0°
N1C2H5H6119.3°120.0°
N1C2C3H729.2°60.0°
N1C2C3H889.9°60.0°
C2N1C1C14150.1°180.0°
N4C11C10N52.9°0.3°
N4C11C10C4179.3°179.3°
N4C11C4C37.3°0.5°
N4C11C10C9179.9°180.0°
N4C11C4C5179.1°179.7°
N5C10C11C9177.0°179.7°
N5C10C11C4176.4°179.6°
N5C10C9C8176.1°180.0°
N5C10C9H113.9°0.1°
C2C3C4C1169.9°90.3°
C2C3C4H7120.4°120.0°
C2C3C4H8120.4°120.0°
C2C3C4C5103.3°90.0°
C3C2N1H3163.1°56.0°
C3C2H5H6119.3°120.0°
C2C3H7H8118.8°120.0°
C10C11C4C3173.6°179.7°
C10C11C4C50.0°0.6°
C11C10C9C80.2°0.4°
C11C10C9H11179.8°179.7°
C10C11N4H12178.8°180.0°
C11C4C3C5173.2°179.7°
C4C11C10C90.6°0.7°
C11C4C5C80.8°0.2°
C11C4C5N2179.2°179.7°
C11C4C3H750.5°149.7°
C11C4C3H8169.7°29.7°
C4C11N4H122.0°0.8°
C3C4C5C8172.8°180.0°
C3C4C5N25.5°0.0°
C4C3C2H590.1°60.0°
C4C3C2H629.4°60.0°
C4C3H7H8118.8°120.0°
C10C9C8H11180.0°180.0°
C10C9C8C50.7°0.0°
C10C9C8C7176.6°179.9°
C4C5C8C91.2°0.1°
C4C5C8N2178.3°179.9°
C4C5C8C7177.3°180.0°
C4C5N2C6179.8°180.0°
C5C4C3H7136.4°30.0°
C5C4C3H817.1°150.0°
C9C8C5C7176.0°179.9°
C9C8C5N2179.5°180.0°
C9C8C7O13.8°0.1°
C9C8C7N3180.0°180.0°
C8C5N2C61.9°0.1°
C5C8C7O1179.9°180.0°
C5C8C7N33.9°0.1°
C5C8C9H11179.3°180.0°
N2C5C8C74.5°0.1°
C5N2C6N31.4°0.1°
C5N2C6H9178.6°180.0°
C8C7O1N3176.0°179.8°
C8C7N3C61.0°0.1°
C8C7N3H10179.0°179.9°
C7C8C9H113.4°0.1°
N2C6N3C71.8°0.1°
N2C6N3H9180.0°179.9°
N2C6N3H10178.2°180.0°
O1C7N3C6177.3°180.0°
O1C7N3H102.7°0.1°
C7N3C6H10180.0°179.9°
C7N3C6H9178.2°179.9°
H1C1H2C14120.2°120.0°
H1C1N1H390.1°63.9°
H1C1C14C1590.0°55.0°
H1C1C14C1990.0°175.0°
H1C1C14H490.0°64.9°
H2C1N1H3149.8°176.0°
H2C1C14C1590.0°65.0°
H2C1C14C1990.0°55.0°
H2C1C14H490.0°175.1°
H3N1C2H576.7°176.0°
H3N1C2H642.9°64.0°
H3N1C1C1429.8°56.0°
H5C2C3H7149.5°180.0°
H5C2C3H830.3°60.0°
H6C2C3H791.0°60.1°
H6C2C3H8149.8°180.0°
H9C6N3H101.8°0.0°
H14N6C13H15166.0°120.0°
H14N6C13H1654.0°120.1°
H14N6C13C2070.0°0.1°
H15C13H16C20104.4°120.0°
H15C13C20C2190.0°60.0°
H15C13C20H2690.0°180.0°
H15C13C20H2790.0°60.0°
H16C13C20C2190.0°60.0°
H16C13C20H2690.0°60.0°
H16C13C20H2790.0°180.0°
C1C14C15C1990.0°120.0°
C1C14C15H490.0°120.0°
C1C14C15C1690.0°180.0°
C1C14C19C1890.0°180.0°
C1C14C19H490.0°120.0°
C1C14C15H1390.0°60.0°
C1C14C15H1790.0°60.0°
C1C14C19H2490.0°60.0°
C1C14C19H2590.0°60.0°
C14C15C16H1390.0°120.0°
C14C15C16H1790.0°120.0°
C14C15C16C1790.0°60.0°
C15C14C19C1890.0°60.0°
C15C14C19H490.0°120.0°
C14C15H13H1790.0°120.0°
C14C15C16H1890.0°60.0°
C14C15C16H1990.0°180.0°
C15C14C19H2490.0°60.0°
C15C14C19H2590.0°180.0°
C15C16C17H1890.0°120.0°
C15C16C17H1990.0°120.0°
C15C16C17C1890.0°60.0°
C16C15C14C1990.0°60.0°
C16C15C14H490.0°60.1°
C16C15H13H1790.0°120.0°
C15C16H18H1990.0°120.0°
C15C16C17H2090.0°180.0°
C15C16C17H2190.0°60.0°
C16C17C18H2090.0°120.0°
C16C17C18H2190.0°120.0°
C16C17C18C1990.0°60.0°
C17C16C15H1390.0°180.0°
C17C16C15H1790.0°60.0°
C17C16H18H1990.0°120.0°
C16C17H20H2190.0°120.0°
C16C17C18H2290.0°60.0°
C16C17C18H2390.0°180.0°
C17C18C19H2290.0°120.0°
C17C18C19H2390.0°120.0°
C17C18C19C1490.0°60.0°
C18C17C16H1890.0°60.0°
C18C17C16H1990.0°180.0°
C18C17H20H2190.0°120.0°
C17C18H22H2390.0°120.0°
C17C18C19H2490.0°60.0°
C17C18C19H2590.0°179.9°
C18C19C14H2490.0°120.0°
C18C19C14H2590.0°120.0°
C18C19C14H490.0°60.0°
C19C18C17H2090.0°180.0°
C19C18C17H2190.0°60.0°
C19C18H22H2390.0°120.0°
C18C19H24H2590.0°120.0°
C19C14C15H1390.0°180.0°
C19C14C15H1790.0°60.0°
C14C19C18H2290.0°60.0°
C14C19C18H2390.0°180.0°
C14C19H24H2590.0°120.0°
C13C20C21H2690.0°120.0°
C13C20C21H2790.0°120.0°
C13C20C21C2290.0°90.0°
C13C20C21C2690.0°90.2°
C13C20H26H2790.0°120.0°
C20C21C22C2690.0°179.8°
C20C21C22C2390.0°180.0°
C20C21C26C2590.0°179.8°
C21C20H26H2790.0°120.0°
C20C21C22H2890.0°0.0°
C20C21C26H3290.0°0.2°
C21C22C23H2890.0°180.0°
C21C22C23C2490.0°0.0°
C22C21C26C2590.0°0.5°
C22C21C20H2690.0°30.0°
C22C21C20H2790.0°150.0°
C21C22C23H2990.0°180.0°
C22C21C26H3290.0°180.0°
C22C23C24H2990.0°179.9°
C22C23C24C2590.0°0.0°
C23C22C21C2690.0°0.2°
C22C23C24H3090.0°179.9°
C23C24C25H3090.0°179.9°
C23C24C25C2690.0°0.2°
C24C23C22H2890.0°180.0°
C23C24C25H3190.0°180.0°
C24C25C26H3190.0°179.8°
C24C25C26C2190.0°0.5°
C25C24C23H2990.0°180.0°
C24C25C26H3290.0°180.0°
C25C26C21H3290.0°179.6°
C26C25C24H3090.0°179.9°
C26C21C20H2690.0°149.8°
C26C21C20H2790.0°29.7°
C26C21C22H2890.0°179.8°
C21C26C25H3190.0°179.7°
H4C14C15H1390.0°60.0°
H4C14C15H1790.0°180.0°
H4C14C19H2490.0°180.0°
H4C14C19H2590.0°60.0°
H13C15C16H1890.0°60.0°
H13C15C16H1990.0°60.0°
H17C15C16H1890.0°180.0°
H17C15C16H1990.0°60.0°
H18C16C17H2090.0°60.0°
H18C16C17H2190.0°180.0°
H19C16C17H2090.0°60.0°
H19C16C17H2190.0°60.0°
H20C17C18H2290.0°60.0°
H20C17C18H2390.0°60.0°
H21C17C18H2290.0°180.0°
H21C17C18H2390.0°60.0°
H22C18C19H2490.0°180.0°
H22C18C19H2590.0°60.0°
H23C18C19H2490.0°60.0°
H23C18C19H2590.0°60.1°
H28C22C23H2990.0°0.0°
H29C23C24H3090.0°0.1°
H30C24C25H3190.0°0.1°
H31C25C26H3290.0°0.2°

222415

PDB entries from 2024-07-10

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