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YT0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16N6sing1.47Å1.47Å
N6C15sing1.47Å1.46Å
N6C17sing1.47Å1.46Å
C15C14sing1.53Å1.51Å
N4C13trip1.14Å1.15Å
C14N5sing1.47Å1.47Å
C13C12sing1.47Å1.46Å
C12C11sing1.53Å1.52Å
C17C18sing1.53Å1.51Å
C18N5sing1.47Å1.47Å
N5C11sing1.47Å1.49Å
C11C19sing1.54Å1.61Å
C11C10sing1.54Å1.56Å
C19N3sing1.47Å1.47Å
C10N3sing1.48Å1.47Å
N3C9sing1.39Å1.42Å
C8C7sing1.51Å1.51Å
C9C7doub1.40Å1.42ÅAromatic
C9N7sing1.33Å1.34ÅAromatic
C7C6sing1.38Å1.38ÅAromatic
N7C5doub1.32Å1.35ÅAromatic
S1N8sing1.70Å1.68ÅAromatic
S1C4sing1.72Å1.72ÅAromatic
C6N2doub1.33Å1.34ÅAromatic
C5N2sing1.33Å1.34ÅAromatic
C5N1sing1.39Å1.38Å
N8C2doub1.30Å1.34ÅAromatic
C4N1sing1.39Å1.36Å
C4C3doub1.36Å1.35ÅAromatic
C2C3sing1.38Å1.42ÅAromatic
C2C1sing1.51Å1.50Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C3H4sing1.08Å1.08Å
C6H5sing1.08Å1.08Å
N1H6sing0.97Å1.00Å
C8H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C18H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
C19H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16N6C15110.1°111.0°
C16N6C17109.6°111.0°
N6C16H18109.5°109.5°
N6C16H19109.5°109.5°
N6C16H20109.5°109.4°
C15N6C17110.1°110.9°
N6C15C14110.5°109.4°
N6C15H16109.2°109.5°
N6C15H17109.2°109.5°
N6C17C18112.5°109.4°
N6C17H21108.7°109.4°
N6C17H22108.7°109.5°
C15C14N5109.7°109.4°
C15C14H14109.4°109.5°
C15C14H15109.4°109.5°
C14C15H16109.2°109.5°
C14C15H17109.2°109.4°
N4C13C12176.2°180.0°
C14N5C18109.1°110.9°
C14N5C11112.2°111.0°
N5C14H14109.4°109.5°
N5C14H15109.4°109.5°
C13C12C11116.2°109.5°
C13C12H12107.7°109.5°
C13C12H13107.8°109.5°
C12C11N5111.7°113.4°
C12C11C19117.1°114.2°
C12C11C10110.8°114.1°
C11C12H12107.8°109.5°
C11C12H13107.8°109.5°
C17C18N5110.4°109.4°
C18C17H21108.7°109.5°
C18C17H22108.7°109.5°
C17C18H23109.2°109.5°
C17C18H24109.3°109.5°
C18N5C11115.7°111.0°
N5C18H23109.2°109.5°
N5C18H24109.3°109.5°
N5C11C19118.2°114.1°
N5C11C10105.9°114.2°
C19C11C1090.2°83.6°
C11C19N383.7°88.0°
C11C19H25115.5°113.5°
C11C19H26115.5°113.5°
C11C10N385.5°87.9°
C11C10H10115.1°113.5°
C11C10H11115.1°113.6°
C19N3C1099.6°87.8°
C19N3C9131.2°111.0°
N3C19H25115.5°113.5°
N3C19H26115.5°113.5°
C10N3C9127.6°111.0°
N3C10H10115.1°113.5°
N3C10H11115.1°113.5°
N3C9C7123.5°120.5°
N3C9N7115.5°120.5°
C8C7C9124.8°120.8°
C8C7C6118.9°120.8°
C7C8H7109.5°109.5°
C7C8H8109.5°109.5°
C7C8H9109.5°109.5°
C7C9N7120.9°119.0°
C9C7C6116.3°118.5°
C9N7C5118.0°120.6°
C7C6N2123.2°119.3°
C7C6H5118.4°120.4°
N7C5N2124.4°121.7°
N7C5N1119.3°119.2°
N8S1C492.6°95.7°
S1N8C2111.7°107.3°
S1C4N1126.9°127.2°
S1C4C3109.4°105.4°
C6N2C5117.2°120.9°
N2C6H5118.4°120.3°
N2C5N1116.3°119.2°
C5N1C4128.0°120.0°
C5N1H6116.0°120.0°
N8C2C3112.0°117.0°
N8C2C1120.6°121.5°
N1C4C3123.6°127.3°
C4N1H6116.0°120.0°
C4C3C2113.2°114.6°
C4C3H4123.4°122.7°
C3C2C1127.4°121.5°
C2C3H4123.4°122.7°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
H1C1H2109.4°109.4°
H1C1H3109.5°109.4°
H2C1H3109.5°109.5°
H7C8H8109.5°109.4°
H7C8H9109.5°109.5°
H8C8H9109.5°109.5°
H10C10H11109.5°112.7°
H12C12H13109.5°109.4°
H14C14H15109.5°109.5°
H16C15H17109.5°109.5°
H18C16H19109.5°109.5°
H18C16H20109.4°109.4°
H19C16H20109.5°109.5°
H21C17H22109.4°109.5°
H23C18H24109.5°109.6°
H25C19H26109.5°112.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16N6C15C17120.9°123.9°
C16N6C15C14177.7°176.8°
C16N6C17C18175.9°176.8°
C16N6C15H1657.5°56.9°
C16N6C15H1762.1°63.2°
N6C16H18H19120.0°120.1°
N6C16H18H20120.0°119.9°
N6C16H19H20120.0°120.0°
C16N6C17H2163.6°63.2°
C16N6C17H2255.5°56.8°
N6C15C14H16120.2°120.0°
N6C15C14H17120.1°120.0°
N6C15C14N560.7°58.4°
C15N6C17C1854.7°59.3°
N6C15C14H14179.3°178.4°
N6C15C14H1559.3°61.6°
N6C15H16H17119.5°120.1°
C15N6C16H18180.0°59.9°
C15N6C16H1960.0°180.0°
C15N6C16H2060.0°60.0°
C15N6C17H21175.1°60.6°
C15N6C17H2265.8°179.3°
C17N6C15C1456.8°59.3°
N6C17C18H21120.5°119.9°
N6C17C18H22120.5°120.0°
N6C17C18N555.5°58.4°
C17N6C15H1663.4°179.3°
C17N6C15H17176.9°60.6°
C17N6C16H1858.7°63.9°
C17N6C16H19178.7°56.2°
C17N6C16H2061.3°176.2°
N6C17H21H22118.6°120.0°
N6C17C18H2364.6°61.6°
N6C17C18H24175.7°178.3°
C15C14N5H14120.0°120.0°
C15C14N5H15120.0°120.0°
C15C14N5C1860.5°59.3°
C15C14N5C11170.0°176.8°
C15C14H14H15119.9°120.0°
C14C15H16H17119.5°120.0°
N4C13C12C11153.7°24.4°
N4C13C12H1285.3°95.7°
N4C13C12H1332.7°144.4°
C14N5C11C1273.3°46.9°
C14N5C18C1757.7°59.3°
C14N5C18C11127.5°123.9°
C14N5C11C1966.9°180.0°
C14N5C11C10165.9°86.2°
N5C14H14H15119.9°120.0°
N5C14C15H1659.5°178.3°
N5C14C15H17179.2°61.6°
C14N5C18H2362.4°60.6°
C14N5C18H24177.8°179.3°
C13C12C11H12121.0°120.1°
C13C12C11H13121.0°120.0°
C13C12C11N5147.4°176.6°
C13C12C11C196.6°50.3°
C13C12C11C1094.8°43.5°
C13C12H12H13116.9°120.0°
C12C11N5C1852.6°170.7°
C12C11N5C19140.2°133.1°
C12C11N5C10120.8°133.1°
C12C11C19C10113.7°113.6°
C12C11C19N3106.5°139.7°
C12C11C10N3112.1°139.7°
C12C11C10H103.6°24.9°
C12C11C10H11132.3°105.6°
C11C12H12H13117.0°120.0°
C12C11C19H25138.2°105.5°
C12C11C19H268.8°24.8°
C17C18N5H23120.1°119.9°
C17C18N5H24120.1°120.0°
C17C18N5C11174.8°176.8°
C18C17H21H22118.6°120.1°
C17C18H23H24119.6°120.1°
C18N5C11C19167.1°56.2°
C18N5C11C1068.1°37.6°
C18N5C14H14179.4°179.3°
C18N5C14H1559.5°60.7°
N5C18C17H21176.0°61.6°
N5C18C17H2264.9°178.4°
N5C18H23H24119.6°120.1°
N5C11C19C10108.2°113.6°
N5C11C19N3115.4°87.6°
N5C11C10N3126.6°87.6°
N5C11C10H10117.8°157.7°
N5C11C10H1110.9°27.2°
N5C11C12H1291.7°63.4°
N5C11C12H1326.4°56.6°
C11N5C14H1449.9°56.8°
C11N5C14H1570.0°63.2°
C11N5C18H2365.1°63.2°
C11N5C18H2454.6°56.9°
N5C11C19H250.1°27.2°
N5C11C19H26129.4°157.6°
C11C19N3H25115.2°114.8°
C11C19N3H26115.3°114.8°
C19C11C10N37.1°26.0°
C11C19N3C9158.3°138.7°
C19C11C10H10122.8°88.7°
C19C11C10H11108.5°140.8°
C19C11C12H12127.6°69.7°
C19C11C12H13114.3°170.3°
C11C19H25H26132.3°130.8°
C11C10N3H10115.6°114.8°
C11C10N3H11115.7°114.8°
C11C10N3C9158.8°138.7°
C11C10H10H11131.4°130.9°
C10C11C12H1226.1°163.6°
C10C11C12H13144.2°76.5°
C10C11C19H25108.1°140.8°
C10C11C19H26122.4°88.8°
C19N3C10C9166.8°111.7°
C19N3C9C718.7°84.1°
C19N3C9N7157.7°95.2°
C19N3C10H10123.6°87.8°
C19N3C10H11107.7°141.9°
N3C19H25H26132.4°130.8°
C10N3C9C7178.7°180.0°
C10N3C9N74.8°0.7°
N3C10H10H11131.5°130.7°
C10N3C19H25107.5°141.8°
C10N3C19H26123.0°87.8°
N3C9C7C85.3°0.5°
N3C9C7N7176.3°179.3°
N3C9C7C6176.1°180.0°
N3C9N7C5176.0°179.7°
C9N3C10H1043.2°23.9°
C9N3C10H1185.5°106.4°
C9N3C19H2586.4°106.6°
C9N3C19H2643.1°23.8°
C8C7C9C6178.6°179.5°
C8C7C9N7178.4°179.7°
C8C7C6N2178.8°180.0°
C8C7C6H51.2°0.0°
C7C8H7H8120.0°120.0°
C7C8H7H9120.0°120.0°
C7C8H8H9120.0°120.0°
C7C9N7C50.5°0.5°
C9C7C6N20.1°0.5°
C9C7C6H5179.9°179.5°
C9C7C8H790.8°89.5°
C9C7C8H8149.2°30.5°
C9C7C8H929.2°150.5°
N7C9C7C60.2°0.7°
C9N7C5N20.7°0.1°
C9N7C5N1178.8°179.8°
C7C6N2H5180.0°180.0°
C7C6N2C50.1°0.0°
C6C7C8H790.6°90.0°
C6C7C8H829.4°150.0°
C6C7C8H9149.4°30.0°
N7C5N2C60.5°0.3°
N7C5N2N1179.6°179.7°
N7C5N1C410.6°179.7°
N7C5N1H6169.4°0.3°
N8S1C4N1176.1°179.8°
N8S1C4C31.0°0.2°
S1N8C2C310.8°0.4°
S1N8C2C1171.1°179.9°
S1C4N1C515.1°0.0°
C4S1N8C25.8°0.3°
S1C4N1C3174.4°179.9°
S1C4C3C27.3°0.0°
S1C4C3H4172.7°180.0°
S1C4N1H6164.9°180.0°
C6N2C5N1179.0°180.0°
N2C5N1C4169.8°0.0°
C5N2C6H5179.9°180.0°
N2C5N1H610.2°180.0°
C5N1C4H6180.0°180.0°
C5N1C4C3170.5°180.0°
N8C2C3C411.9°0.3°
N8C2C3C1177.9°179.7°
N8C2C1H10.0°90.3°
N8C2C1H2120.0°29.7°
N8C2C1H3120.0°149.7°
N8C2C3H4168.1°179.8°
N1C4C3C2177.5°180.0°
N1C4C3H42.5°0.1°
C4C3C2H4180.0°180.0°
C4C3C2C1170.2°180.0°
C3C4N1H69.5°0.0°
C3C2C1H1177.7°90.0°
C3C2C1H262.3°150.0°
C3C2C1H357.7°30.0°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.1°
C1C2C3H49.8°0.0°
H1C1H2H3119.9°119.9°
H7C8H8H9120.0°120.0°
H14C14C15H1660.5°61.6°
H14C14C15H1759.1°58.4°
H15C14C15H16179.5°58.4°
H15C14C15H1760.8°178.4°
H18C16H19H20120.0°119.9°
H21C17C18H2355.8°178.5°
H21C17C18H2463.9°58.4°
H22C17C18H23174.9°58.5°
H22C17C18H2455.2°61.6°

222415

PDB entries from 2024-07-10

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