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QS0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C30N23sing1.46Å1.45Å
C29N28doub1.32Å1.34ÅAromatic
C29C24sing1.39Å1.38ÅAromatic
C1N2sing1.47Å1.49Å
N23C24sing1.38Å1.38ÅAromatic
N23C22sing1.36Å1.36ÅAromatic
N28C27sing1.32Å1.34ÅAromatic
C7N2sing1.47Å1.49Å
C7C6sing1.53Å1.51Å
C24C25doub1.41Å1.40ÅAromatic
N2C3sing1.47Å1.49Å
C6N5sing1.47Å1.46Å
C22C21doub1.36Å1.36ÅAromatic
C27C26doub1.37Å1.38ÅAromatic
C25C21sing1.47Å1.45ÅAromatic
C25C26sing1.39Å1.39ÅAromatic
C3C4sing1.53Å1.52Å
N5C4sing1.47Å1.46Å
N5C8sing1.40Å1.37Å
C21C19sing1.48Å1.47Å
C13C8doub1.39Å1.39ÅAromatic
C13C12sing1.38Å1.38ÅAromatic
C8C9sing1.39Å1.39ÅAromatic
C12C11doub1.39Å1.39ÅAromatic
C19N20doub1.33Å1.34ÅAromatic
C19C18sing1.40Å1.38ÅAromatic
N20C15sing1.32Å1.34ÅAromatic
C9C10doub1.38Å1.38ÅAromatic
C11C10sing1.39Å1.39ÅAromatic
C11N14sing1.40Å1.39Å
C18C17doub1.38Å1.38ÅAromatic
C10O31sing1.36Å1.36Å
C15N14sing1.38Å1.36Å
C15N16doub1.33Å1.34ÅAromatic
C17N16sing1.33Å1.34ÅAromatic
O31C32sing1.43Å1.42Å
C3H1sing1.09Å1.10Å
C3H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C9H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C17H10sing1.08Å1.08Å
C18H11sing1.08Å1.08Å
C30H12sing1.09Å1.10Å
C30H13sing1.09Å1.10Å
C30H14sing1.09Å1.10Å
C13H15sing1.08Å1.08Å
C22H16sing1.08Å1.08Å
C26H17sing1.08Å1.08Å
C27H18sing1.08Å1.08Å
C29H19sing1.08Å1.08Å
C32H20sing1.09Å1.10Å
C32H21sing1.09Å1.10Å
C32H22sing1.09Å1.10Å
C4H23sing1.09Å1.10Å
C4H24sing1.09Å1.10Å
C7H25sing1.09Å1.10Å
C7H26sing1.09Å1.10Å
N14H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C30N23C24125.7°124.8°
C30N23C22125.7°124.9°
N23C30H12109.5°109.5°
N23C30H13109.4°109.5°
N23C30H14109.4°109.5°
N28C29C24121.9°120.3°
C29N28C27118.0°122.6°
N28C29H19119.1°119.9°
C29C24N23132.1°134.3°
C29C24C25119.9°118.4°
C24C29H19119.1°119.9°
C1N2C7111.4°111.0°
C1N2C3111.5°111.0°
N2C1H3109.5°109.4°
N2C1H4109.5°109.5°
N2C1H5109.5°109.4°
C24N23C22108.6°110.3°
N23C24C25107.9°107.3°
N23C22C21110.9°109.8°
N23C22H16124.6°125.1°
N28C27C26124.5°121.3°
N28C27H18117.8°119.4°
N2C7C6110.4°109.4°
C7N2C3110.4°110.9°
N2C7H25109.3°109.5°
N2C7H26109.2°109.5°
C7C6N5110.4°109.4°
C7C6H6109.2°109.5°
C7C6H7109.2°109.5°
C6C7H25109.2°109.5°
C6C7H26109.2°109.5°
C24C25C21106.7°106.0°
C24C25C26118.2°118.8°
N2C3C4110.9°109.4°
N2C3H1109.1°109.5°
N2C3H2109.1°109.5°
C6N5C4112.8°110.9°
C6N5C8115.9°111.0°
N5C6H6109.2°109.5°
N5C6H7109.2°109.5°
C22C21C25105.7°106.6°
C22C21C19127.0°126.7°
C21C22H16124.5°125.1°
C27C26C25117.5°118.7°
C27C26H17121.2°120.7°
C26C27H18117.8°119.4°
C21C25C26135.0°135.2°
C25C21C19127.2°126.7°
C25C26H17121.2°120.6°
C3C4N5111.1°109.4°
C4C3H1109.1°109.5°
C4C3H2109.1°109.5°
C3C4H23109.1°109.5°
C3C4H24109.0°109.5°
C4N5C8117.5°111.0°
N5C4H23109.0°109.6°
N5C4H24109.1°109.5°
N5C8C13120.2°119.9°
N5C8C9121.0°120.0°
C21C19N20115.2°120.5°
C21C19C18122.5°120.5°
C8C13C12120.8°120.1°
C13C8C9118.9°120.1°
C8C13H15119.6°120.0°
C13C12C11120.4°120.1°
C13C12H9119.8°120.0°
C12C13H15119.6°120.0°
C8C9C10120.3°119.9°
C8C9H8119.9°120.0°
C12C11C10119.0°120.0°
C12C11N14122.8°120.0°
C11C12H9119.8°120.0°
N20C19C18122.3°119.0°
C19N20C15116.4°120.6°
C19C18C17116.3°118.4°
C19C18H11121.8°120.8°
N20C15N14114.9°119.2°
N20C15N16126.3°121.7°
C9C10C11120.8°119.9°
C9C10O31124.5°120.0°
C10C9H8119.9°120.1°
C10C11N14118.2°120.0°
C11C10O31114.6°120.0°
C11N14C15130.5°120.0°
C11N14H27114.8°120.0°
C18C17N16123.4°119.3°
C18C17H10118.3°120.4°
C17C18H11121.8°120.8°
C10O31C32117.5°117.0°
N14C15N16118.2°119.2°
C15N14H27114.8°120.0°
C15N16C17115.3°121.0°
N16C17H10118.3°120.3°
O31C32H20109.5°109.4°
O31C32H21109.5°109.4°
O31C32H22109.4°109.4°
H1C3H2109.5°109.5°
H3C1H4109.5°109.5°
H3C1H5109.4°109.5°
H4C1H5109.5°109.5°
H6C6H7109.5°109.5°
H12C30H13109.5°109.4°
H12C30H14109.5°109.5°
H13C30H14109.5°109.5°
H20C32H21109.5°109.5°
H20C32H22109.5°109.6°
H21C32H22109.5°109.5°
H23C4H24109.5°109.4°
H25C7H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C30N23C24C290.1°0.0°
C30N23C24C22178.7°180.0°
C30N23C24C25178.7°180.0°
C30N23C22C21178.7°179.8°
N23C30H12H13120.0°120.0°
N23C30H12H14120.0°120.0°
N23C30H13H14120.0°120.0°
C30N23C22H161.3°0.1°
N28C29C24H19180.0°180.0°
N28C29C24N23178.7°180.0°
N28C29C24C250.0°0.0°
C29N28C27C260.0°0.0°
C29N28C27H18180.0°180.0°
C29C24N23C25178.8°180.0°
C29C24N23C22178.8°180.0°
C24C29N28C270.0°0.0°
C29C24C25C21178.9°179.8°
C29C24C25C260.0°0.0°
C1N2C7C3124.5°123.9°
C1N2C7C6174.3°64.6°
C1N2C3C4133.9°64.6°
C1N2C3H1105.9°55.4°
C1N2C3H213.7°175.4°
N2C1H3H4120.0°120.0°
N2C1H3H5120.0°119.9°
N2C1H4H5120.0°120.0°
C1N2C7H2565.6°175.5°
C1N2C7H2654.2°55.4°
C24N23C22C210.1°0.2°
N23C24C25C210.1°0.1°
N23C24C25C26179.0°180.0°
C24N23C30H12180.0°90.1°
C24N23C30H1360.0°150.0°
C24N23C30H1460.0°30.0°
C24N23C22H16179.9°179.9°
N23C24C29H191.3°0.1°
C22N23C24C250.0°0.0°
N23C22C21H16180.0°179.9°
N23C22C21C250.1°0.3°
N23C22C21C19177.4°180.0°
C22N23C30H121.5°90.0°
C22N23C30H13118.5°30.0°
C22N23C30H14121.5°150.0°
N28C27C26H18180.0°180.0°
N28C27C26C250.0°0.0°
N28C27C26H17180.0°180.0°
C27N28C29H19179.9°180.0°
N2C7C6H25120.2°119.9°
N2C7C6H26120.1°120.0°
N2C7C6N552.8°58.4°
C7N2C3C49.5°59.3°
C7N2C3H1129.7°179.2°
C7N2C3H2110.7°60.7°
C7N2C1H3180.0°60.0°
C7N2C1H460.0°180.0°
C7N2C1H560.0°60.0°
N2C7C6H6173.0°61.6°
N2C7C6H767.3°178.4°
N2C7H25H26119.6°120.0°
C6C7N2C361.2°59.3°
C7C6N5H6120.1°120.0°
C7C6N5H7120.1°120.0°
C7C6N5C46.9°59.3°
C7C6N5C8146.5°176.8°
C7C6H6H7119.5°120.1°
C6C7H25H26119.5°120.1°
C24C25C21C220.1°0.2°
C24C25C26C270.0°0.0°
C24C25C21C26178.7°179.8°
C24C25C21C19177.4°180.0°
C24C25C26H17180.0°179.9°
C25C24C29H19180.0°180.0°
N2C3C4H1120.2°119.9°
N2C3C4H2120.2°120.0°
N2C3C4N549.2°58.4°
N2C3H1H2119.4°120.0°
C3N2C1H356.2°63.8°
C3N2C1H4176.2°56.2°
C3N2C1H563.8°176.2°
N2C3C4H23169.5°178.4°
N2C3C4H2471.0°61.6°
C3N2C7H2558.9°60.6°
C3N2C7H26178.7°179.3°
C6N5C4C358.7°59.3°
C6N5C4C8138.8°123.9°
C6N5C8C1335.5°0.3°
C6N5C8C9144.4°180.0°
N5C6H6H7119.6°120.0°
C6N5C4H23179.0°179.3°
C6N5C4H2461.5°60.7°
N5C6C7H2567.4°61.5°
N5C6C7H26173.0°178.4°
C22C21C25C19177.5°179.8°
C22C21C25C26178.8°180.0°
C22C21C19N2013.6°180.0°
C22C21C19C18163.9°0.0°
C27C26C25C21178.5°179.8°
C27C26C25H17180.0°179.9°
C25C21C19N20169.4°0.3°
C25C21C19C1813.1°179.7°
C25C21C22H16179.9°179.8°
C21C25C26H171.5°0.3°
C26C25C21C191.3°0.2°
C25C26C27H18180.0°180.0°
C3C4N5H23120.3°120.0°
C3C4N5H24120.2°120.0°
C3C4N5C8162.4°176.8°
C4C3H1H2119.3°120.1°
C3C4H23H24119.2°120.0°
C4N5C8C13173.1°123.6°
C4N5C8C96.8°56.2°
N5C4C3H171.0°178.3°
N5C4C3H2169.5°61.6°
C4N5C6H6113.3°60.7°
C4N5C6H7127.0°179.3°
N5C4H23H24119.2°120.1°
N5C8C13C9179.9°179.7°
N5C8C13C12179.8°179.8°
N5C8C9C10179.9°179.7°
C8N5C6H626.3°63.2°
C8N5C6H793.4°56.8°
N5C8C9H80.1°0.3°
N5C8C13H150.1°0.3°
C8N5C4H2342.2°56.8°
C8N5C4H2477.3°63.2°
C21C19N20C18177.5°180.0°
C21C19N20C15177.6°179.7°
C21C19C18C17177.2°180.0°
C21C19C18H112.8°0.0°
C19C21C22H162.6°0.0°
C8C13C12H15180.0°180.0°
C8C13C12C110.0°0.1°
C13C8C9C100.0°0.0°
C13C8C9H8180.0°180.0°
C8C13C12H9180.0°180.0°
C12C13C8C90.1°0.0°
C13C12C11H9180.0°179.9°
C13C12C11C100.1°0.1°
C13C12C11N14176.8°180.0°
C8C9C10H8180.0°180.0°
C8C9C10C110.1°0.1°
C8C9C10O31176.1°180.0°
C9C8C13H15179.9°180.0°
C12C11C10C90.2°0.1°
C12C11C10N14176.9°179.9°
C12C11C10O31176.5°180.0°
C12C11N14C159.4°24.9°
C11C12C13H15180.0°180.0°
C12C11N14H27170.6°155.1°
N20C19C18C170.1°0.0°
C19N20C15N14170.6°180.0°
C19N20C15N160.2°0.6°
N20C19C18H11179.9°180.0°
C18C19N20C150.1°0.3°
C19C18C17H11180.0°180.0°
C19C18C17N160.1°0.1°
C19C18C17H10179.9°179.7°
N20C15N14C1120.9°174.7°
N20C15N14N16171.6°179.4°
N20C15N16C170.2°0.7°
N20C15N14H27159.1°5.3°
C9C10C11O31176.4°179.9°
C9C10C11N14177.1°180.0°
C9C10O31C3211.2°0.0°
C10C11N14C15173.9°155.0°
C11C10O31C32165.0°179.9°
C11C10C9H8179.9°180.0°
C10C11C12H9179.8°180.0°
C10C11N14H276.1°25.0°
N14C11C10O316.6°0.1°
C11N14C15H27180.0°180.0°
C11N14C15N16167.5°6.0°
N14C11C12H93.1°0.1°
C18C17N16C150.0°0.4°
C18C17N16H10180.0°179.6°
O31C10C9H83.9°0.1°
C10O31C32H20180.0°180.0°
C10O31C32H2160.0°60.0°
C10O31C32H2260.0°60.0°
N14C15N16C17170.4°180.0°
C15N16C17H10180.0°180.0°
N16C15N14H2712.5°174.0°
N16C17C18H11179.8°180.0°
O31C32H20H21120.0°119.9°
O31C32H20H22120.0°120.0°
O31C32H21H22119.9°119.9°
H1C3C4H2349.2°61.6°
H1C3C4H24168.8°58.3°
H2C3C4H2370.3°58.4°
H2C3C4H2449.2°178.4°
H3C1H4H5120.0°120.0°
H6C6C7H2552.8°178.5°
H6C6C7H2666.9°58.4°
H7C6C7H25172.5°58.4°
H7C6C7H2652.8°61.7°
H9C12C13H150.0°0.1°
H10C17C18H110.2°0.3°
H12C30H13H14120.0°120.0°
H17C26C27H180.0°0.1°
H20C32H21H22120.0°120.1°

225946

PDB entries from 2024-10-09

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