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V59

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C13sing1.51Å1.52Å
C12C1sing1.51Å1.53Å
C13C24doub1.38Å1.39ÅAromatic
C13C14sing1.38Å1.39ÅAromatic
C24C23sing1.38Å1.39ÅAromatic
N2C2doub1.29Å1.34ÅAromatic
N2N3sing1.38Å1.42ÅAromatic
N1C1sing1.35Å1.37Å
N1C2sing1.39Å1.37Å
C1O1doub1.21Å1.23Å
C23C22doub1.38Å1.38ÅAromatic
C14C15doub1.39Å1.39ÅAromatic
C2S1sing1.76Å1.84ÅAromatic
N3C3doub1.30Å1.33ÅAromatic
C22C15sing1.39Å1.38ÅAromatic
C15O2sing1.36Å1.40Å
O2C16sing1.36Å1.41Å
C16C17doub1.39Å1.39ÅAromatic
C16C21sing1.39Å1.38ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C3S1sing1.76Å1.84ÅAromatic
C3N4sing1.39Å1.32Å
C11C4sing1.55Å1.53Å
C11N5sing1.49Å1.46Å
C21C20doub1.38Å1.39ÅAromatic
C18C19doub1.38Å1.37ÅAromatic
C4N4sing1.47Å1.45Å
C4C5sing1.55Å1.52Å
C20C19sing1.38Å1.38ÅAromatic
C8C9doub1.39Å1.36ÅAromatic
C8C7sing1.40Å1.39ÅAromatic
C5C6sing1.54Å1.50Å
N5C7sing1.39Å1.38Å
N5C6sing1.48Å1.47Å
C9C10sing1.39Å1.39ÅAromatic
C7N7doub1.32Å1.35ÅAromatic
C10N6doub1.32Å1.32ÅAromatic
N7N6sing1.28Å1.35ÅAromatic
N1H1sing0.97Å1.00Å
N4H2sing0.97Å1.00Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C11H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C14H15sing1.08Å1.08Å
C17H16sing1.08Å1.08Å
C18H17sing1.08Å1.08Å
C19H18sing1.08Å1.08Å
C20H19sing1.08Å1.08Å
C21H20sing1.08Å1.08Å
C22H21sing1.08Å1.08Å
C23H22sing1.08Å1.08Å
C24H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C12C1115.7°109.5°
C12C13C24121.3°120.0°
C12C13C14120.5°120.0°
C13C12H13107.9°109.5°
C13C12H14107.9°109.5°
C12C1N1116.5°120.0°
C12C1O1122.1°120.0°
C1C12H13107.9°109.4°
C1C12H14107.9°109.5°
C24C13C14118.1°120.0°
C13C24C23120.8°120.2°
C13C24H23119.6°119.9°
C13C14C15120.9°120.0°
C13C14H15119.5°120.0°
C24C23C22120.7°120.0°
C24C23H22119.6°120.0°
C23C24H23119.6°119.9°
C2N2N3114.4°115.7°
N2C2N1122.2°125.4°
N2C2S1113.3°109.2°
N2N3C3112.7°115.5°
C1N1C2134.6°120.0°
N1C1O1121.1°120.0°
C1N1H1112.7°120.1°
N1C2S1124.5°125.4°
C2N1H1112.7°119.9°
C23C22C15119.0°119.9°
C23C22H21120.5°120.0°
C22C23H22119.6°120.0°
C14C15C22120.4°119.9°
C14C15O2123.2°120.1°
C15C14H15119.6°120.0°
C2S1C385.3°90.4°
N3C3S1114.4°109.2°
N3C3N4123.5°125.4°
C22C15O2116.3°120.1°
C15C22H21120.5°120.0°
C15O2C16132.4°118.0°
O2C16C17116.3°120.1°
O2C16C21123.7°120.0°
C17C16C21120.0°119.9°
C16C17C18119.7°119.9°
C16C17H16120.2°120.0°
C16C21C20119.2°119.9°
C16C21H20120.4°120.0°
C17C18C19120.7°120.1°
C18C17H16120.2°120.0°
C17C18H17119.6°120.0°
S1C3N4122.1°125.4°
C3N4C4120.3°120.0°
C3N4H2106.7°120.1°
C4C11N5102.7°103.2°
C11C4N4113.1°110.8°
C11C4C598.3°102.9°
C11C4H3110.0°110.9°
C4C11H11111.2°110.6°
C4C11H12111.2°110.6°
C11N5C7127.2°110.9°
C11N5C6109.4°105.8°
N5C11H11111.1°110.7°
N5C11H12111.1°110.7°
C21C20C19121.2°120.1°
C21C20H19119.4°120.0°
C20C21H20120.4°120.1°
C18C19C20119.2°120.1°
C19C18H17119.7°120.0°
C18C19H18120.4°120.0°
N4C4C5113.4°110.7°
C4N4H2106.7°120.0°
N4C4H3111.3°110.6°
C4C5C6101.7°105.1°
C5C4H3110.1°110.7°
C4C5H4111.4°110.3°
C4C5H5111.4°110.3°
C20C19H18120.4°119.9°
C19C20H19119.4°119.9°
C9C8C7118.5°117.9°
C8C9C10118.7°118.1°
C9C8H8120.7°121.1°
C8C9H9120.7°121.0°
C8C7N5122.1°120.1°
C8C7N7120.4°119.7°
C7C8H8120.7°121.0°
C5C6N5103.4°107.0°
C6C5H4111.4°110.3°
C6C5H5111.4°110.3°
C5C6H6111.0°109.9°
C5C6H7111.0°109.9°
C7N5C6123.3°111.0°
N5C7N7117.4°120.2°
N5C6H6111.0°109.9°
N5C6H7111.0°110.1°
C9C10N6121.5°120.0°
C10C9H9120.6°121.0°
C9C10H10119.3°120.0°
C7N7N6120.5°122.1°
C10N6N7120.4°122.3°
N6C10H10119.3°120.0°
H4C5H5109.5°110.3°
H6C6H7109.5°109.9°
H11C11H12109.5°110.8°
H13C12H14109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C12C1H13120.9°120.0°
C13C12C1H14120.9°120.0°
C12C13C24C14179.2°179.7°
C12C13C24C23178.9°179.7°
C13C12C1N1160.3°179.7°
C13C12C1O125.2°0.0°
C12C13C14C15178.3°180.0°
C13C12H13H14117.2°120.0°
C12C13C14H151.7°0.1°
C12C13C24H231.1°0.0°
C1C12C13C2483.0°90.0°
C1C12C13C1496.3°89.7°
C12C1N1O1174.5°179.7°
C12C1N1C2113.7°179.7°
C12C1N1H166.3°0.3°
C1C12H13H14117.1°120.0°
C13C24C23H23180.0°179.7°
C13C24C23C220.2°0.6°
C24C13C14C150.9°0.3°
C24C13C12H1338.0°30.0°
C24C13C12H14156.2°150.0°
C24C13C14H15179.1°179.8°
C13C24C23H22179.8°179.7°
C14C13C24C230.3°0.6°
C13C14C15H15180.0°179.9°
C13C14C15C221.4°0.0°
C13C14C15O2179.4°180.0°
C14C13C12H13142.8°150.3°
C14C13C12H1424.6°30.3°
C14C13C24H23179.7°179.7°
C24C23C22H22180.0°179.7°
C24C23C22C150.7°0.3°
C24C23C22H21179.3°179.8°
N2C2N1C1152.9°0.3°
N2C2N1S1177.9°179.6°
C2N2N3C30.9°0.0°
N2C2S1C31.2°0.3°
N2C2N1H127.1°179.7°
N3N2C2N1179.6°179.9°
N3N2C2S11.5°0.3°
N2N3C3S10.0°0.3°
N2N3C3N4180.0°179.9°
C1N1C2H1180.0°179.9°
C1N1C2S129.2°180.0°
N1C1C12H1378.8°60.3°
N1C1C12H1439.4°59.7°
C2N1C1O171.8°0.0°
N1C2S1C3179.2°180.0°
O1C1N1H1108.2°180.0°
O1C1C12H1395.7°120.0°
O1C1C12H14146.1°120.0°
C23C22C15C141.3°0.0°
C23C22C15H21180.0°179.9°
C23C22C15O2179.5°180.0°
C22C23C24H23179.8°179.7°
C14C15C22O2179.2°180.0°
C14C15O2C1620.5°0.6°
C14C15C22H21178.7°179.9°
C2S1C3N30.7°0.3°
C2S1C3N4179.3°179.9°
S1C2N1H1150.8°0.1°
N3C3S1N4180.0°179.8°
N3C3N4C40.4°0.0°
N3C3N4H2121.9°179.9°
C22C15O2C16160.3°179.4°
C22C15C14H15178.6°180.0°
C15C22C23H22179.3°180.0°
C15O2C16C17158.5°89.9°
C15O2C16C2122.2°90.3°
O2C15C14H150.6°0.1°
O2C15C22H210.5°0.1°
O2C16C17C21179.3°179.8°
O2C16C17C18179.4°180.0°
O2C16C21C20179.3°179.6°
O2C16C17H160.6°0.1°
O2C16C21H200.8°0.1°
C16C17C18H16180.0°180.0°
C17C16C21C201.5°0.6°
C16C17C18C190.2°0.0°
C16C17C18H17179.7°180.0°
C17C16C21H20178.5°179.7°
C21C16C17C181.3°0.2°
C16C21C20H20180.0°179.7°
C16C21C20C190.6°0.7°
C21C16C17H16178.7°179.7°
C16C21C20H19179.4°179.7°
C17C18C19H17180.0°180.0°
C17C18C19C200.6°0.0°
C17C18C19H18179.4°180.0°
S1C3N4C4179.7°179.7°
S1C3N4H258.2°0.2°
C3N4C4C1195.1°160.0°
C3N4C4H2121.5°179.9°
C3N4C4C5154.2°86.5°
C3N4C4H329.4°36.6°
C4C11N5H11118.9°118.4°
C4C11N5H12118.9°118.4°
C11C4N4C5110.8°113.5°
C11C4N4H3124.4°123.4°
C11C4C5H3115.0°118.5°
C11C4C5C648.4°21.9°
C4C11N5C7155.9°159.7°
C4C11N5C621.2°39.2°
C11C4N4H226.5°19.9°
C11C4C5H4167.2°97.0°
C11C4C5H570.3°140.9°
C4C11H11H12123.2°123.0°
N5C11C4N477.5°155.8°
N5C11C4C542.4°37.4°
C11N5C7C86.0°177.5°
C11N5C6C59.4°25.3°
C11N5C7C6176.7°117.4°
C11N5C7N7172.2°2.7°
N5C11C4H3157.4°81.0°
C11N5C6H6109.6°94.0°
C11N5C6H7128.5°144.8°
N5C11H11H12123.1°123.2°
C21C20C19C180.4°0.4°
C21C20C19H19180.0°179.6°
C21C20C19H18179.6°179.7°
C18C19C20H18180.0°180.0°
C19C18C17H16179.7°180.0°
C18C19C20H19179.6°180.0°
N4C4C5H3125.4°123.1°
N4C4C5C671.2°140.3°
N4C4C5H447.6°21.4°
N4C4C5H5170.1°100.7°
N4C4C11H11163.6°85.8°
N4C4C11H1241.4°37.3°
C4C5C6H4118.7°118.9°
C4C5C6H5118.7°118.9°
C4C5C6N536.6°1.3°
C5C4N4H284.3°93.6°
C4C5H4H5123.6°122.2°
C4C5C6H682.5°118.1°
C4C5C6H7155.6°120.8°
C5C4C11H1176.5°155.8°
C5C4C11H12161.3°81.1°
C20C19C18H17179.4°180.0°
C19C20C21H20179.3°179.7°
C9C8C7H8180.0°180.0°
C9C8C7N5177.1°180.0°
C8C9C10H9180.0°179.9°
C9C8C7N71.1°0.2°
C8C9C10N61.1°0.0°
C8C9C10H10178.9°179.9°
C8C7N5N7178.2°179.8°
C8C7N5C6177.4°60.1°
C7C8C9C101.3°0.0°
C8C7N7N60.6°0.5°
C7C8C9H9178.8°179.9°
C5C6N5C7173.4°145.8°
C5C6N5H6119.0°119.3°
C5C6N5H7119.0°119.4°
C6C5C4H3163.4°96.6°
C6C5H4H5123.6°122.1°
C5C6H6H7122.8°121.1°
N5C7N7N6177.6°179.7°
C7N5C6H667.6°26.5°
C7N5C6H754.3°94.8°
N5C7C8H82.9°0.0°
C7N5C11H1185.2°81.9°
C7N5C11H1236.9°41.3°
C6N5C7N74.4°120.1°
N5C6C5H4155.3°120.1°
N5C6C5H582.2°117.7°
N5C6H6H7122.8°121.3°
C6N5C11H1197.7°157.6°
C6N5C11H12140.1°79.2°
C9C10N6H10180.0°179.9°
C9C10N6N70.6°0.3°
C10C9C8H8178.7°180.0°
C7N7N6C100.4°0.6°
N7C7C8H8179.0°179.8°
N6C10C9H9178.9°179.9°
N7N6C10H10179.4°179.8°
H2N4C4H3150.9°143.3°
H3C4C5H477.8°144.5°
H3C4C5H544.7°22.3°
H3C4C11H1138.6°37.4°
H3C4C11H1283.7°160.5°
H4C5C6H636.3°0.8°
H4C5C6H785.7°120.3°
H5C5C6H6158.8°123.0°
H5C5C6H736.9°1.8°
H8C8C9H91.2°0.0°
H9C9C10H101.0°0.0°
H16C17C18H170.3°0.0°
H17C18C19H180.5°0.0°
H18C19C20H190.4°0.0°
H19C20C21H200.7°0.1°
H21C22C23H220.7°0.1°
H22C23C24H230.2°0.0°

223532

PDB entries from 2024-08-07

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