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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C16doub1.31Å1.34Å
C16H16sing1.08Å1.08Å
C16H16Asing1.08Å1.08Å
C21C15sing1.51Å1.50Å
C15H15sing1.08Å1.08Å
C21N5sing1.46Å1.45Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
S1N5sing1.66Å1.64Å
N5HN5sing0.97Å1.00Å
O2S1doub1.42Å1.49Å
S1O1doub1.42Å1.50Å
S1C5sing1.76Å1.75Å
C7C5doub1.38Å1.40ÅAromatic
C5C22sing1.38Å1.39ÅAromatic
C7C6sing1.40Å1.40ÅAromatic
C7H7sing1.08Å1.08Å
C22C26doub1.38Å1.39ÅAromatic
C22H22sing1.08Å1.08Å
C23C26sing1.38Å1.38ÅAromatic
C26H26sing1.08Å1.08Å
C6C23doub1.40Å1.39ÅAromatic
C23H23sing1.08Å1.08Å
C4C6sing1.48Å1.52Å
N3C4sing1.35Å1.34Å
C4O3doub1.22Å1.24Å
C1N3sing1.38Å1.34Å
N3HN3sing0.97Å1.00Å
N2C1sing1.36Å1.33ÅAromatic
C1N1doub1.31Å1.33ÅAromatic
C2N1sing1.36Å1.33ÅAromatic
C3C2doub1.40Å1.39ÅAromatic
C10C2sing1.40Å1.39ÅAromatic
C11C10doub1.38Å1.40ÅAromatic
C10H10sing1.08Å1.08Å
C17C11sing1.39Å1.39ÅAromatic
C12C11sing1.51Å1.54Å
C12N4sing1.47Å1.47Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C24N4sing1.47Å1.48Å
N4C25sing1.47Å1.48Å
C24C29sing1.53Å1.54Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C29C30sing1.53Å1.53Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C30C28sing1.53Å1.53Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C25C28sing1.53Å1.55Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C17C9doub1.38Å1.39ÅAromatic
C17H17sing1.08Å1.08Å
C9C3sing1.39Å1.40ÅAromatic
C9H9sing1.08Å1.08Å
C3N2sing1.38Å1.33ÅAromatic
C8N2sing1.47Å1.47Å
C13C8sing1.53Å1.51Å
C8C14sing1.53Å1.53Å
C8H8sing1.09Å1.10Å
C19C14sing1.53Å1.53Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C20C19sing1.53Å1.54Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C18C13sing1.53Å1.53Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C18C20sing1.53Å1.53Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C20C27sing1.53Å1.54Å
C20H20sing1.09Å1.10Å
O4C27sing1.43Å1.44Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C16H16120.0°120.0°
C15C16H16A120.0°120.0°
C16C15C21121.2°120.0°
C16C15H15119.4°120.0°
H16C16H16A120.0°119.9°
C21C15H15119.4°120.0°
C15C21N5109.5°109.5°
C15C21H21109.5°109.5°
C15C21H21A109.5°109.4°
N5C21H21109.5°109.5°
N5C21H21A109.5°109.4°
C21N5S1113.4°120.0°
C21N5HN5108.5°120.0°
H21C21H21A109.5°109.5°
S1N5HN5108.5°120.0°
N5S1O2111.3°106.4°
N5S1O1107.5°106.4°
N5S1C5107.0°107.2°
O2S1O1111.5°123.2°
O2S1C5110.1°106.4°
O1S1C5109.3°106.4°
S1C5C7120.7°120.0°
S1C5C22119.2°119.9°
C7C5C22120.1°120.1°
C5C7C6119.1°119.8°
C5C7H7120.4°120.1°
C5C22C26120.2°120.3°
C5C22H22119.9°119.9°
C6C7H7120.4°120.1°
C7C6C23120.3°119.7°
C7C6C4121.5°120.2°
C26C22H22119.9°119.8°
C22C26C23120.4°120.2°
C22C26H26119.8°119.9°
C23C26H26119.8°119.9°
C26C23C6119.8°119.8°
C26C23H23120.1°120.1°
C6C23H23120.1°120.1°
C23C6C4118.1°120.1°
C6C4N3114.5°120.0°
C6C4O3119.8°119.9°
N3C4O3125.6°120.0°
C4N3C1123.4°120.0°
C4N3HN3118.3°120.0°
C1N3HN3118.3°120.0°
N3C1N2125.9°125.1°
N3C1N1125.7°125.0°
N2C1N1108.4°109.9°
C1N2C3109.5°107.3°
C1N2C8129.1°126.3°
C1N1C2108.2°109.6°
N1C2C3107.6°107.1°
N1C2C10132.6°133.4°
C3C2C10119.8°119.5°
C2C3C9121.1°119.9°
C2C3N2106.3°106.1°
C2C10C11119.5°119.7°
C2C10H10120.3°120.1°
C11C10H10120.3°120.2°
C10C11C17120.1°120.5°
C10C11C12120.2°119.7°
C17C11C12119.7°119.7°
C11C17C9120.7°120.4°
C11C17H17119.6°119.8°
C11C12N4112.9°109.5°
C11C12H12108.6°109.4°
C11C12H12A108.6°109.5°
N4C12H12108.6°109.5°
N4C12H12A108.6°109.5°
C12N4C24105.6°111.0°
C12N4C25109.2°111.0°
H12C12H12A109.4°109.5°
C24N4C25112.0°111.2°
N4C24C29112.8°109.5°
N4C24H24108.6°109.5°
N4C24H24A108.6°109.4°
N4C25C28112.9°109.5°
N4C25H25108.6°109.4°
N4C25H25A108.6°109.4°
C29C24H24108.6°109.5°
C29C24H24A108.6°109.5°
C24C29C30111.7°109.3°
C24C29H29108.9°109.5°
C24C29H29A108.9°109.5°
H24C24H24A109.5°109.5°
C30C29H29108.9°109.5°
C30C29H29A108.9°109.5°
C29C30C28109.2°109.2°
C29C30H30109.5°109.6°
C29C30H30A109.5°109.5°
H29C29H29A109.5°109.5°
C28C30H30109.5°109.5°
C28C30H30A109.5°109.5°
C30C28C25111.0°109.3°
C30C28H28109.1°109.5°
C30C28H28A109.1°109.5°
H30C30H30A109.5°109.5°
C25C28H28109.1°109.5°
C25C28H28A109.1°109.5°
C28C25H25108.6°109.5°
C28C25H25A108.6°109.5°
H28C28H28A109.5°109.5°
H25C25H25A109.5°109.5°
C9C17H17119.7°119.8°
C17C9C3118.9°119.9°
C17C9H9120.5°120.0°
C3C9H9120.5°120.0°
C9C3N2132.6°134.0°
C3N2C8121.4°126.4°
N2C8C13112.1°109.5°
N2C8C14113.7°109.5°
N2C8H8107.3°109.4°
C13C8C14110.0°109.5°
C13C8H8106.9°109.5°
C8C13C18108.0°109.5°
C8C13H13109.8°109.4°
C8C13H13A109.9°109.5°
C14C8H8106.5°109.4°
C8C14C19106.9°109.5°
C8C14H14110.1°109.5°
C8C14H14A110.1°109.5°
C19C14H14110.1°109.5°
C19C14H14A110.1°109.4°
C14C19C20113.4°109.5°
C14C19H19108.5°109.5°
C14C19H19A108.5°109.5°
H14C14H14A109.4°109.5°
C20C19H19108.5°109.5°
C20C19H19A108.5°109.5°
C19C20C18114.0°109.5°
C19C20C27109.4°109.5°
C19C20H20107.7°109.5°
H19C19H19A109.5°109.5°
C18C13H13109.9°109.5°
C18C13H13A109.8°109.5°
C13C18C20113.5°109.5°
C13C18H18108.5°109.5°
C13C18H18A108.5°109.4°
H13C13H13A109.5°109.5°
C20C18H18108.4°109.5°
C20C18H18A108.4°109.5°
C18C20C27109.8°109.5°
C18C20H20107.8°109.4°
H18C18H18A109.5°109.4°
C27C20H20107.8°109.5°
C20C27O4110.4°109.5°
C20C27H27109.2°109.4°
C20C27H27A109.3°109.5°
O4C27H27109.3°109.5°
O4C27H27A109.2°109.5°
C27O4HO4109.5°114.0°
H27C27H27A109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C16H16H16A180.0°179.7°
C16C15C21H15180.0°179.9°
C16C15C21N5100.0°125.0°
C16C15C21H2120.0°115.0°
C16C15C21H21A140.0°5.0°
H16C16C15C210.0°0.0°
H16C16C15H15180.0°179.9°
H16AC16C15C21180.0°179.7°
H16AC16C15H150.0°0.3°
C15C21N5H21120.0°120.0°
C15C21N5H21A120.0°119.9°
C15C21H21H21A120.0°120.0°
C15C21N5S1178.5°165.0°
C15C21N5HN557.9°15.0°
H15C15C21N580.0°55.1°
H15C15C21H21160.0°64.9°
H15C15C21H21A40.0°175.0°
N5C21H21H21A120.0°120.0°
C21N5S1HN5120.6°180.0°
C21N5S1O249.5°48.5°
C21N5S1O1171.9°178.6°
C21N5S1C570.9°65.0°
H21C21N5S161.5°45.0°
H21C21N5HN5177.9°135.0°
H21AC21N5S158.5°75.0°
H21AC21N5HN562.1°105.0°
N5S1O2O1120.0°123.0°
N5S1O2C5118.6°114.0°
N5S1O1C5115.8°114.1°
N5S1C5C783.7°89.7°
N5S1C5C2296.5°90.1°
HN5N5S1O271.1°131.5°
HN5N5S1O151.3°1.5°
HN5N5S1C5168.5°115.0°
O2S1O1C5122.0°123.0°
O2S1C5C737.5°23.8°
O2S1C5C22142.4°156.5°
O1S1C5C7160.2°156.7°
O1S1C5C2219.6°23.5°
S1C5C7C22179.8°179.8°
S1C5C7C6179.0°180.0°
S1C5C7H70.9°0.0°
S1C5C22C26179.2°180.0°
S1C5C22H220.8°0.1°
C5C7C6H7180.0°180.0°
C7C5C22C260.7°0.2°
C7C5C22H22179.3°179.7°
C5C7C6C231.0°0.0°
C5C7C6C4178.8°180.0°
C22C5C7C60.8°0.3°
C22C5C7H7179.2°179.7°
C5C22C26H22180.0°179.9°
C5C22C26C230.7°0.0°
C5C22C26H26179.3°180.0°
C7C6C23C261.1°0.3°
C7C6C23C4177.8°179.9°
C7C6C23H23178.9°179.9°
C7C6C4N310.8°174.6°
C7C6C4O3173.5°5.3°
H7C7C6C23179.0°180.0°
H7C7C6C41.3°0.0°
C22C26C23H26180.0°180.0°
C22C26C23C61.0°0.3°
C22C26C23H23179.1°180.0°
H22C22C26C23179.3°180.0°
H22C22C26H260.7°0.0°
C26C23C6H23180.0°179.6°
C26C23C6C4178.9°179.8°
H26C26C23C6179.1°179.7°
H26C26C23H230.9°0.0°
C23C6C4N3167.0°5.5°
C23C6C4O38.8°174.6°
H23C23C6C41.1°0.1°
C6C4N3O3175.4°179.9°
C6C4N3C1174.9°174.9°
C6C4N3HN35.1°5.2°
C4N3C1HN3180.0°179.9°
C4N3C1N2177.2°173.8°
C4N3C1N11.3°5.9°
O3C4N3C10.5°5.1°
O3C4N3HN3179.5°174.9°
N3C1N2N1178.7°179.8°
N3C1N1C2178.5°180.0°
N3C1N2C3178.7°179.9°
N3C1N2C80.8°0.1°
HN3N3C1N22.8°6.2°
HN3N3C1N1178.7°174.1°
N2C1N1C20.1°0.2°
C1N2C3C20.2°0.4°
C1N2C3C9179.7°179.9°
C1N2C3C8179.6°180.0°
C1N2C8C1362.6°47.8°
C1N2C8C1462.9°167.8°
C1N2C8H8179.6°72.2°
C1N1C2C30.2°0.0°
C1N1C2C10179.9°179.9°
N1C1N2C30.0°0.4°
N1C1N2C8179.5°179.6°
N1C2C3C10179.7°179.9°
N1C2C10C11179.9°180.0°
N1C2C10H100.1°0.1°
N1C2C3C9179.9°180.0°
N1C2C3N20.3°0.2°
C3C2C10C110.3°0.1°
C3C2C10H10179.8°180.0°
C2C3C9C170.5°0.1°
C2C3C9N2179.5°179.7°
C2C3C9H9179.5°179.9°
C2C3N2C8179.4°179.6°
C2C10C11H10180.0°179.9°
C2C10C11C170.2°0.1°
C2C10C11C12179.0°180.0°
C10C2C3C90.4°0.1°
C10C2C3N2180.0°179.7°
C10C11C17C12178.8°179.9°
C10C11C12N4128.6°90.0°
C10C11C12H12110.9°150.0°
C10C11C12H12A8.0°30.0°
C10C11C17C90.3°0.1°
C10C11C17H17179.7°180.0°
H10C10C11C17179.8°180.0°
H10C10C11C121.0°0.1°
C17C11C12N452.7°89.9°
C17C11C12H1267.9°30.0°
C17C11C12H12A173.2°150.0°
C11C17C9H17180.0°179.9°
C11C17C9C30.4°0.1°
C11C17C9H9179.6°179.9°
C11C12N4H12120.5°120.0°
C11C12N4H12A120.5°120.0°
C11C12H12H12A118.4°120.0°
C11C12N4C24173.2°65.8°
C11C12N4C2566.2°170.0°
C12C11C17C9179.1°180.0°
C12C11C17H170.9°0.1°
N4C12H12H12A118.5°120.0°
C12N4C24C25118.7°124.1°
C12N4C24C29171.4°174.2°
C12N4C24H2468.2°54.1°
C12N4C24H24A50.9°65.8°
C12N4C25C28170.2°174.1°
C12N4C25H2549.6°65.8°
C12N4C25H25A69.3°54.1°
H12C12N4C2452.7°54.2°
H12C12N4C25173.3°70.0°
H12AC12N4C2466.2°174.2°
H12AC12N4C2554.3°50.0°
N4C24C29H24120.5°120.0°
N4C24C29H24A120.5°120.0°
N4C24H24H24A118.5°119.9°
N4C24C29C3054.0°59.2°
N4C24C29H2966.3°60.8°
N4C24C29H29A174.4°179.1°
C24N4C25C2853.6°61.7°
C24N4C25H2566.9°58.3°
C24N4C25H25A174.1°178.3°
C25N4C24C2952.7°61.7°
C25N4C24H24173.1°178.2°
C25N4C24H24A67.8°58.3°
N4C25C28C3055.7°59.2°
N4C25C28H25120.5°120.0°
N4C25C28H25A120.5°120.0°
N4C25C28H2864.5°60.8°
N4C25C28H28A175.9°179.1°
N4C25H25H25A118.4°119.9°
C29C24H24H24A118.5°120.0°
C24C29C30H29120.4°120.0°
C24C29C30H29A120.3°120.0°
C24C29H29H29A119.0°120.1°
C24C29C30C2854.7°57.6°
C24C29C30H30174.7°177.6°
C24C29C30H30A65.3°62.2°
H24C24C29C30174.5°179.2°
H24C24C29H2954.2°59.2°
H24C24C29H29A65.2°60.9°
H24AC24C29C3066.5°60.8°
H24AC24C29H29173.2°179.2°
H24AC24C29H29A53.9°59.2°
C30C29H29H29A119.0°120.0°
C29C30C28H30120.0°120.0°
C29C30C28H30A120.0°119.9°
C29C30H30H30A120.1°120.2°
C29C30C28C2555.2°57.6°
C29C30C28H2865.0°62.3°
C29C30C28H28A175.4°177.6°
H29C29C30C2865.6°62.3°
H29C29C30H3054.3°57.6°
H29C29C30H30A174.4°177.8°
H29AC29C30C28175.1°177.6°
H29AC29C30H3065.0°62.4°
H29AC29C30H30A55.1°57.7°
C28C30H30H30A120.1°120.1°
C30C28C25H28120.2°119.9°
C30C28C25H28A120.2°120.0°
C30C28H28H28A119.3°120.1°
C30C28C25H2564.8°60.8°
C30C28C25H25A176.2°179.1°
H30C30C28C25175.2°177.6°
H30C30C28H2854.9°57.7°
H30C30C28H28A64.6°62.4°
H30AC30C28C2564.8°62.3°
H30AC30C28H28175.0°177.8°
H30AC30C28H28A55.4°57.7°
C25C28H28H28A119.3°120.1°
C28C25H25H25A118.5°120.0°
H28C28C25H25175.0°179.3°
H28C28C25H25A56.0°59.2°
H28AC28C25H2555.4°59.2°
H28AC28C25H25A63.6°60.9°
C17C9C3H9180.0°180.0°
C17C9C3N2180.0°179.6°
H17C17C9C3179.6°180.0°
H17C17C9H90.4°0.0°
C9C3N2C80.2°0.1°
H9C9C3N20.0°0.4°
C3N2C8C13117.9°132.2°
C3N2C8C14116.6°12.2°
C3N2C8H80.9°107.8°
N2C8C13C14127.5°120.0°
N2C8C13H8117.2°120.0°
N2C8C14H8118.0°119.9°
N2C8C14C19166.6°60.0°
N2C8C14H1446.9°180.0°
N2C8C14H14A73.8°59.9°
N2C8C13C18165.8°60.0°
N2C8C13H1374.4°60.0°
N2C8C13H13A46.1°180.0°
C13C8C14H8115.5°120.0°
C13C8C14C1966.9°60.0°
C13C8C14H14173.5°60.0°
C13C8C14H14A52.8°180.0°
C8C13C18H13119.8°120.0°
C8C13C18H13A119.8°120.0°
C8C13H13H13A120.7°120.0°
C8C13C18C2053.5°60.0°
C8C13C18H18174.1°60.0°
C8C13C18H18A67.1°180.0°
C8C14C19H14119.6°120.0°
C8C14C19H14A119.6°120.0°
C8C14H14H14A121.2°120.0°
C8C14C19C2054.0°60.0°
C8C14C19H1966.6°180.0°
C8C14C19H19A174.6°60.0°
C14C8C13C1866.6°60.0°
C14C8C13H1353.2°180.0°
C14C8C13H13A173.6°60.0°
H8C8C14C1948.6°180.0°
H8C8C14H1471.0°60.0°
H8C8C14H14A168.2°60.0°
H8C8C13C1848.6°180.0°
H8C8C13H13168.4°60.0°
H8C8C13H13A71.2°60.0°
C19C14H14H14A121.2°120.0°
C14C19C20H19120.6°120.0°
C14C19C20H19A120.6°120.0°
C14C19H19H19A118.2°120.0°
C14C19C20C1843.7°60.0°
C14C19C20C2779.7°180.0°
C14C19C20H20163.4°60.0°
H14C14C19C20173.6°60.0°
H14C14C19H1953.1°60.0°
H14C14C19H19A65.8°NaN°
H14AC14C19C2065.6°180.0°
H14AC14C19H19173.8°60.0°
H14AC14C19H19A55.0°60.0°
C20C19H19H19A118.2°120.0°
C19C20C18C1343.0°60.0°
C19C20C18C27123.2°120.0°
C19C20C18H20119.6°120.0°
C19C20C18H18163.6°60.0°
C19C20C18H18A77.7°180.0°
C19C20C27H20116.9°120.0°
C19C20C27O4177.9°66.3°
C19C20C27H2762.0°53.7°
C19C20C27H27A57.7°173.7°
H19C19C20C1876.9°180.0°
H19C19C20C27159.7°60.0°
H19C19C20H2042.8°60.0°
H19AC19C20C18164.3°60.0°
H19AC19C20C2740.9°60.0°
H19AC19C20H2076.1°180.0°
C18C13H13H13A120.7°120.0°
C13C18C20H18120.6°120.0°
C13C18C20H18A120.6°120.0°
C13C18H18H18A118.2°119.9°
C13C18C20C2780.2°NaN°
C13C18C20H20162.6°60.0°
H13C13C18C2066.2°180.0°
H13C13C18H1854.4°59.9°
H13C13C18H18A173.2°60.0°
H13AC13C18C20173.3°60.0°
H13AC13C18H1866.1°180.0°
H13AC13C18H18A52.7°60.1°
C20C18H18H18A118.1°120.1°
C18C20C27H20117.2°120.0°
C18C20C27O452.0°173.7°
C18C20C27H27172.1°66.3°
C18C20C27H27A68.2°53.7°
H18C18C20C2740.4°60.0°
H18C18C20H2076.8°180.0°
H18AC18C20C27159.1°60.0°
H18AC18C20H2041.9°60.0°
C20C27O4H27120.2°120.0°
C20C27O4H27A120.2°120.0°
C20C27H27H27A119.6°120.0°
C20C27O4HO4180.0°175.0°
H20C20C27O465.3°53.7°
H20C20C27H2754.9°173.8°
H20C20C27H27A174.6°66.3°
O4C27H27H27A119.5°120.0°
H27C27O4HO459.8°65.0°
H27AC27O4HO459.8°55.0°

217705

PDB entries from 2024-03-27

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