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9QA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C07C04sing1.51Å1.53Å
C07C08sing1.53Å1.53Å
C04C03doub1.38Å1.39ÅAromatic
C04C05sing1.38Å1.39ÅAromatic
C03C02sing1.38Å1.39ÅAromatic
C05C06doub1.38Å1.38ÅAromatic
C08C09sing1.51Å1.53Å
C02C01doub1.38Å1.39ÅAromatic
C06C01sing1.38Å1.39ÅAromatic
O10C09doub1.21Å1.18Å
C09N11sing1.35Å1.46Å
N11C16sing1.47Å1.51Å
N11C12sing1.47Å1.51Å
C16C15sing1.53Å1.53Å
C15C14sing1.53Å1.48Å
C12C13sing1.53Å1.53Å
C13C14sing1.53Å1.49Å
O28C27doub1.22Å1.18Å
C14C17sing1.53Å1.53Å
C14O30sing1.43Å1.46Å
C17N18sing1.46Å1.46Å
C27N18sing1.35Å1.33Å
C27C26sing1.47Å1.42Å
C25C26doub1.39Å1.42ÅAromatic
C25C24sing1.37Å1.39ÅAromatic
N18C19sing1.36Å1.33Å
C26C21sing1.41Å1.36ÅAromatic
C24C23doub1.39Å1.40ÅAromatic
C19N20doub1.30Å1.33Å
C21N20sing1.36Å1.37Å
C21C22doub1.40Å1.43ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C23CL1sing1.74Å1.79Å
C01H011sing1.08Å1.08Å
C02H021sing1.08Å1.08Å
C03H031sing1.08Å1.08Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C07H072sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C19H191sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
O30H301sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C04C07C08112.5°109.5°
C07C04C03120.2°120.0°
C07C04C05120.0°120.1°
C04C07H072108.7°109.5°
C04C07H071108.7°109.5°
C07C08C09111.7°109.5°
C08C07H072108.7°109.4°
C08C07H071108.7°109.5°
C07C08H081108.9°109.5°
C07C08H082108.9°109.5°
C03C04C05119.8°120.0°
C04C03C02119.9°120.0°
C04C03H031120.0°120.0°
C04C05C06120.1°120.0°
C04C05H051119.9°119.9°
C03C02C01120.1°120.0°
C03C02H021120.0°120.0°
C02C03H031120.0°120.0°
C05C06C01120.0°120.0°
C06C05H051119.9°120.1°
C05C06H061120.0°120.0°
C08C09O10119.0°120.0°
C08C09N11122.0°120.0°
C09C08H081108.9°109.4°
C09C08H082108.9°109.5°
C02C01C06120.0°120.0°
C02C01H011120.0°120.0°
C01C02H021120.0°120.0°
C06C01H011120.0°120.0°
C01C06H061120.0°120.0°
O10C09N11119.0°120.0°
C09N11C16125.9°120.6°
C09N11C12123.5°120.6°
C16N11C12110.6°118.8°
N11C16C15112.8°109.0°
N11C16H161108.6°109.6°
N11C16H162108.6°109.6°
N11C12C13111.9°108.8°
N11C12H122108.8°109.6°
N11C12H121108.9°109.6°
C16C15C14111.9°109.4°
C16C15H151108.9°109.5°
C16C15H152108.9°109.4°
C15C16H161108.6°109.5°
C15C16H162108.6°109.4°
C15C14C13111.2°109.5°
C15C14C17109.5°109.5°
C15C14O30108.5°109.5°
C14C15H151108.9°109.5°
C14C15H152108.9°109.5°
C12C13C14110.8°109.3°
C13C12H122108.9°109.5°
C13C12H121108.8°109.5°
C12C13H131109.1°109.5°
C12C13H132109.2°109.5°
C13C14C17110.1°109.4°
C13C14O30107.9°109.4°
C14C13H131109.2°109.5°
C14C13H132109.1°109.5°
O28C27N18120.5°121.3°
O28C27C26119.7°121.3°
C17C14O30109.7°109.5°
C14C17N18109.5°109.4°
C14C17H172109.4°109.5°
C14C17H171109.5°109.4°
C14O30H301109.5°113.9°
C17N18C27120.5°119.7°
C17N18C19119.4°119.7°
N18C17H172109.5°109.5°
N18C17H171109.4°109.5°
N18C27C26119.9°117.4°
C27N18C19120.2°120.6°
C27C26C25122.0°121.9°
C27C26C21118.0°117.9°
C26C25C24120.0°119.7°
C25C26C21120.0°120.1°
C26C25H251120.0°120.2°
C25C24C23120.0°120.7°
C25C24H241120.0°119.7°
C24C25H251120.0°120.2°
N18C19N20122.3°123.4°
N18C19H191118.8°118.3°
C26C21N20119.7°119.1°
C26C21C22119.9°119.2°
C24C23C22120.0°120.8°
C24C23CL1120.0°119.6°
C23C24H241120.0°119.6°
C19N20C21119.9°121.6°
N20C19H191118.9°118.3°
N20C21C22120.3°121.7°
C21C22C23120.0°119.6°
C21C22H221120.0°120.2°
C22C23CL1119.9°119.6°
C23C22H221120.0°120.3°
H072C07H071109.5°109.5°
H081C08H082109.4°109.5°
H122C12H121109.5°109.7°
H131C13H132109.4°109.6°
H151C15H152109.5°109.5°
H161C16H162109.5°109.7°
H172C17H171109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C04C07C08H072120.4°120.0°
C04C07C08H071120.4°120.0°
C07C04C03C05179.6°180.0°
C07C04C03C02180.0°179.9°
C07C04C05C06179.9°179.8°
C04C07C08C0945.4°180.0°
C07C04C03H0310.1°0.0°
C07C04C05H0510.1°0.0°
C04C07H072H071118.6°120.0°
C04C07C08H08174.9°60.0°
C04C07C08H082165.8°60.0°
C08C07C04C0392.5°90.0°
C08C07C04C0587.9°90.0°
C07C08C09H081120.4°120.0°
C07C08C09H082120.3°120.0°
C07C08C09O1068.2°0.0°
C07C08C09N11111.2°180.0°
C08C07H072H071118.6°120.0°
C07C08H081H082119.0°120.0°
C04C03C02H031180.0°179.9°
C03C04C05C060.5°0.2°
C04C03C02C010.2°0.1°
C04C03C02H021179.8°180.0°
C03C04C05H051179.5°180.0°
C03C04C07H07228.0°150.0°
C03C04C07H071147.1°30.0°
C05C04C03C020.4°0.0°
C04C05C06H051180.0°179.8°
C04C05C06C010.4°0.5°
C05C04C03H031179.6°180.0°
C04C05C06H061179.6°180.0°
C05C04C07H072151.6°30.0°
C05C04C07H07132.5°150.0°
C03C02C01H021180.0°179.9°
C03C02C01C060.1°0.2°
C03C02C01H011179.9°180.0°
C05C06C01C020.2°0.5°
C05C06C01H061180.0°179.5°
C05C06C01H011179.8°179.7°
C08C09O10N11179.5°180.0°
C08C09N11C160.6°180.0°
C08C09N11C12179.8°0.2°
C09C08C07H072165.9°60.0°
C09C08C07H07175.0°60.0°
C09C08H081H082119.0°120.0°
C02C01C06H011180.0°179.8°
C01C02C03H031179.8°180.0°
C02C01C06H061179.8°180.0°
C06C01C02H021179.9°179.7°
C01C06C05H051179.6°179.7°
O10C09N11C16180.0°0.0°
O10C09N11C120.3°179.8°
O10C09C08H081171.4°120.0°
O10C09C08H08252.1°120.0°
C09N11C16C12179.7°179.8°
C09N11C16C15129.3°126.5°
C09N11C12C13127.3°126.4°
N11C09C08H0819.1°60.0°
N11C09C08H082128.4°60.0°
C09N11C12H122112.4°113.8°
C09N11C12H1216.9°6.7°
C09N11C16H1618.8°6.6°
C09N11C16H162110.2°113.8°
N11C16C15H161120.5°120.0°
N11C16C15H162120.5°119.8°
N11C16C15C1452.8°54.4°
C16N11C12C1353.1°53.3°
C16N11C12H12267.3°66.4°
C16N11C12H121173.4°173.1°
N11C16C15H15167.6°174.4°
N11C16C15H152173.1°65.6°
N11C16H161H162118.5°120.4°
C12N11C16C1551.0°53.3°
N11C12C13H122120.4°119.8°
N11C12C13H121120.4°119.8°
N11C12C13C1456.8°54.6°
N11C12H122H121118.9°120.4°
N11C12C13H131177.0°174.6°
N11C12C13H13263.4°65.3°
C12N11C16H161171.5°173.1°
C12N11C16H16269.5°66.4°
C16C15C14H151120.4°120.1°
C16C15C14H152120.3°119.9°
C16C15C14C1355.6°61.3°
C16C15C14C17177.4°178.8°
C16C15C14O3062.9°58.8°
C16C15H151H152118.9°120.0°
C15C16H161H162118.5°120.1°
C15C14C13C1257.6°61.4°
C15C14C13C17121.5°120.0°
C15C14C13O30118.9°120.0°
C15C14C17O30119.0°120.0°
C15C14C17N1873.8°60.0°
C15C14C13H131177.8°178.7°
C15C14C13H13262.7°58.5°
C14C15H151H152118.9°120.1°
C14C15C16H161173.3°174.3°
C14C15C16H16267.7°65.4°
C15C14C17H172166.2°180.0°
C15C14C17H17146.2°60.0°
C15C14O30H301180.0°59.9°
C12C13C14H131120.2°119.9°
C12C13C14H132120.2°119.9°
C12C13C14C17179.1°178.6°
C12C13C14O3061.3°58.7°
C13C12H122H121118.9°120.3°
C12C13H131H132119.4°120.0°
C13C14C17O30118.5°119.9°
C13C14C17N18163.7°180.0°
C14C13C12H12263.6°65.2°
C14C13C12H121177.2°174.4°
C14C13H131H132119.4°120.2°
C13C14C15H15164.8°178.7°
C13C14C15H152175.9°58.6°
C13C14C17H17243.7°60.0°
C13C14C17H17176.3°60.0°
C13C14O30H30159.4°180.0°
O28C27N18C170.1°0.0°
O28C27N18C26179.7°179.8°
O28C27C26C250.2°0.1°
O28C27N18C19180.0°179.7°
O28C27C26C21179.8°179.8°
C14C17N18H172120.0°120.0°
C14C17N18H171120.0°120.0°
C14C17N18C2795.5°90.3°
C14C17N18C1984.6°90.0°
C17C14C13H13160.7°58.7°
C17C14C13H13258.8°61.5°
C17C14C15H15157.0°58.7°
C17C14C15H15262.3°61.4°
C14C17H172H171120.0°120.0°
C17C14O30H30160.4°60.1°
O30C14C17N1845.2°60.1°
O30C14C13H13158.9°61.2°
O30C14C13H132178.5°178.6°
O30C14C15H151176.7°61.3°
O30C14C15H15257.4°178.6°
O30C14C17H17274.8°59.9°
O30C14C17H171165.2°180.0°
C17N18C27C19179.9°179.7°
C17N18C27C26179.8°179.8°
C17N18C19N20179.7°180.0°
N18C17H172H171120.0°120.1°
C17N18C19H1910.3°0.1°
N18C27C26C25179.9°179.7°
N18C27C26C210.2°0.4°
C27N18C19N200.3°0.3°
C27N18C17H172144.5°149.7°
C27N18C17H17124.5°29.7°
C27N18C19H191179.7°179.7°
C27C26C25C21180.0°179.8°
C27C26C25C24179.9°179.8°
C26C27N18C190.3°0.5°
C27C26C21N200.1°0.2°
C27C26C21C22180.0°179.8°
C27C26C25H2510.1°0.1°
C26C25C24H251180.0°179.9°
C26C25C24C230.0°0.0°
C25C26C21N20180.0°180.0°
C25C26C21C220.0°0.1°
C26C25C24H241180.0°180.0°
C24C25C26C210.0°0.1°
C25C24C23H241180.0°180.0°
C25C24C23C220.0°0.0°
C25C24C23CL1180.0°180.0°
N18C19N20H191180.0°180.0°
N18C19N20C210.2°0.0°
C19N18C17H17235.4°29.9°
C19N18C17H171155.4°150.0°
C26C21N20C190.1°0.0°
C26C21N20C22180.0°179.9°
C26C21C22C230.0°0.1°
C26C21C22H221180.0°180.0°
C21C26C25H251180.0°179.9°
C24C23C22C210.0°0.0°
C24C23C22CL1180.0°180.0°
C24C23C22H221180.0°179.9°
C23C24C25H251180.0°179.9°
C19N20C21C22179.9°180.0°
N20C21C22C23180.0°180.0°
C21N20C19H191179.8°180.0°
N20C21C22H2210.0°0.1°
C21C22C23H221180.0°179.9°
C21C22C23CL1180.0°179.9°
C22C23C24H241180.0°180.0°
CL1C23C22H2210.0°0.0°
CL1C23C24H2410.0°0.0°
H011C01C02H0210.1°0.1°
H011C01C06H0610.2°0.1°
H021C02C03H0310.2°0.1°
H051C05C06H0610.4°0.2°
H072C07C08H08145.5°180.0°
H072C07C08H08273.8°60.0°
H071C07C08H081164.7°60.0°
H071C07C08H08245.4°180.0°
H122C12C13H13156.7°54.7°
H122C12C13H132176.2°174.8°
H121C12C13H13162.6°65.6°
H121C12C13H13257.0°54.5°
H151C15C16H16153.0°65.6°
H151C15C16H162172.0°54.6°
H152C15C16H16166.3°54.4°
H152C15C16H16252.6°174.6°
H241C24C25H2510.0°0.1°

222415

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