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SummaryGeometryRelated PDB entries

XH9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02N01trip1.14Å1.15Å
C03C02sing1.43Å1.53Å
C04C03doub1.40Å1.40ÅAromatic
N06C05sing1.47Å1.30Å
C08C07sing1.51Å1.52Å
C09C08sing1.54Å1.53Å
C07N06sing1.46Å1.39Å
C10N06sing1.41Å1.40Å
C11C10sing1.55Å1.54Å
N12C11sing1.45Å1.45Å
C13N12sing1.35Å1.47Å
C15C14doub1.40Å1.39ÅAromatic
C16C15sing1.39Å1.40ÅAromatic
CL17C16sing1.74Å1.78Å
C18C16doub1.38Å1.39ÅAromatic
N19C18sing1.32Å1.32ÅAromatic
C20N19doub1.32Å1.34ÅAromatic
C14C13sing1.48Å1.56Å
O21C13doub1.22Å1.19Å
C05C04sing1.51Å1.56Å
C22C04sing1.38Å1.40ÅAromatic
C23C22doub1.38Å1.39ÅAromatic
C24C23sing1.38Å1.39ÅAromatic
C25C24doub1.38Å1.39ÅAromatic
C03C25sing1.40Å1.40ÅAromatic
C09N12sing1.48Å1.46Å
C14C20sing1.40Å1.39ÅAromatic
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C15H151sing1.08Å1.08Å
C20H201sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C05H051sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C07H072sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C18H181sing1.08Å1.08Å
C23H231sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
N01C02C03177.9°180.0°
C02C03C04121.7°120.2°
C02C03C25117.0°120.1°
C03C04C05120.5°120.1°
C03C04C22118.5°119.8°
C04C03C25121.3°119.7°
C05N06C07111.4°111.0°
C05N06C10114.3°111.0°
N06C05C04112.0°109.5°
N06C05H051108.8°109.5°
N06C05H052108.9°109.5°
C07C08C09118.0°109.6°
C08C07N06118.6°109.1°
C08C07H072107.1°109.5°
C08C07H071107.1°109.6°
C07C08H082107.3°109.4°
C07C08H081107.3°109.5°
C08C09N12117.6°111.3°
C09C08H082107.3°109.4°
C09C08H081107.3°109.4°
C08C09H092107.4°109.1°
C08C09H091107.4°109.2°
C07N06C10120.8°116.4°
N06C07H072107.1°109.5°
N06C07H071107.1°109.5°
N06C10C11113.9°110.0°
N06C10H101108.4°109.4°
N06C10H102108.4°109.4°
C10C11N12110.5°109.6°
C11C10H101108.4°109.4°
C11C10H102108.3°109.3°
C10C11H111109.2°109.4°
C10C11H112109.2°109.5°
C11N12C13119.9°118.7°
C11N12C09120.2°122.5°
N12C11H111109.2°109.4°
N12C11H112109.2°109.5°
N12C13C14121.7°120.0°
N12C13O21120.3°120.0°
C13N12C09119.9°118.7°
C14C15C16118.4°118.3°
C15C14C13117.4°120.6°
C15C14C20119.2°118.9°
C14C15H151120.8°120.8°
C15C16CL17118.6°120.3°
C15C16C18119.6°119.3°
C16C15H151120.8°120.9°
CL17C16C18121.9°120.3°
C16C18N19120.5°121.0°
C16C18H181119.7°119.5°
C18N19C20121.9°121.9°
N19C18H181119.8°119.5°
N19C20C14120.4°120.6°
N19C20H201119.8°119.7°
C14C13O21117.9°120.0°
C13C14C20123.1°120.5°
C05C04C22121.1°120.1°
C04C05H051108.8°109.5°
C04C05H052108.8°109.5°
C04C22C23120.0°120.2°
C04C22H221120.0°119.9°
C22C23C24120.7°120.3°
C23C22H221120.0°119.9°
C22C23H231119.7°119.9°
C23C24C25120.0°120.2°
C23C24H241120.0°119.9°
C24C23H231119.6°119.9°
C24C25C03119.4°119.8°
C25C24H241120.0°119.9°
C24C25H251120.3°120.1°
C03C25H251120.3°120.1°
N12C09H092107.4°109.1°
N12C09H091107.4°109.1°
C14C20H201119.8°119.7°
H101C10H102109.4°109.4°
H051C05H052109.5°109.4°
H072C07H071109.5°109.6°
H082C08H081109.5°109.5°
H092C09H091109.5°109.1°
H111C11H112109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N01C02C03C04178.3°85.1°
N01C02C03C251.1°95.3°
C02C03C04C25177.1°179.6°
C02C03C04C051.6°0.0°
C02C03C04C22178.3°180.0°
C02C03C25C24176.5°180.0°
C02C03C25H2513.5°0.1°
C03C04C05N06156.1°80.0°
C03C04C05C22179.9°179.9°
C03C04C22C232.4°0.3°
C04C03C25C240.7°0.4°
C03C04C22H221177.6°179.9°
C03C04C05H05183.5°160.0°
C03C04C05H05235.7°40.1°
C04C03C25H251179.3°179.4°
C05N06C07C08109.2°144.8°
C05N06C07C10138.4°128.2°
C05N06C10C11176.0°168.3°
N06C05C04H051120.4°120.0°
N06C05C04H052120.4°120.0°
N06C05C04C2223.8°100.0°
C05N06C10H10155.3°48.2°
C05N06C10H10263.3°71.6°
N06C05H051H052118.9°120.0°
C05N06C07H072129.5°95.4°
C05N06C07H07112.0°24.8°
C07C08C09H082121.2°120.0°
C07C08C09H081121.2°120.1°
C08C07N06H072121.3°119.8°
C08C07N06H071121.3°120.0°
C08C07N06C1029.2°87.1°
C07C08C09N1254.8°40.1°
C08C07H072H071115.9°120.3°
C07C08H082H081116.2°120.0°
C07C08C09H092176.0°160.5°
C07C08C09H09166.4°80.4°
C09C08C07N0672.8°92.4°
C08C09N12C1144.4°41.7°
C08C09N12C13136.6°138.4°
C08C09N12H092121.2°120.4°
C08C09N12H091121.2°120.5°
C09C08C07H07248.4°27.4°
C09C08C07H071165.9°147.6°
C09C08H082H081116.2°119.9°
C08C09H092H091116.3°119.2°
C07N06C10C1146.7°63.6°
C07N06C05C04131.6°162.9°
C07N06C10H101167.4°176.4°
C07N06C10H10274.0°56.5°
C07N06C05H05111.3°77.1°
C07N06C05H052108.0°42.9°
N06C07H072H071115.9°120.2°
N06C07C08H08248.4°147.6°
N06C07C08H081165.9°27.6°
N06C10C11H101120.7°120.1°
N06C10C11H102120.7°120.2°
N06C10C11N1289.5°69.8°
C10N06C05C0487.1°66.1°
N06C10H101H102118.0°119.8°
C10N06C05H051152.6°53.9°
C10N06C05H05233.3°173.9°
C10N06C07H07292.1°32.8°
C10N06C07H071150.4°153.0°
N06C10C11H11130.7°50.2°
N06C10C11H112150.4°170.2°
C10C11N12H111120.1°120.0°
C10C11N12H112120.2°120.1°
C10C11N12C13113.4°90.3°
C10C11N12C0967.6°89.8°
C11C10H101H102118.0°119.7°
C10C11H111H112119.5°119.9°
C11N12C13C09179.0°179.9°
C11N12C13C143.4°176.7°
C11N12C13O21179.6°3.3°
N12C11C10H101149.9°170.2°
N12C11C10H10231.2°50.4°
C11N12C09H092165.6°78.7°
C11N12C09H09176.7°162.2°
N12C11H111H112119.5°119.9°
N12C13C14C1584.2°47.0°
N12C13C14O21176.3°180.0°
N12C13C14C20101.8°133.0°
C13N12C09H09215.4°101.2°
C13N12C09H091102.2°17.9°
C13N12C11H111126.4°149.7°
C13N12C11H1126.7°29.8°
C14C15C16H151180.0°179.8°
C14C15C16CL17178.9°179.9°
C14C15C16C181.0°0.0°
C15C14C20N192.1°0.5°
C15C14C13C20174.0°180.0°
C15C14C13O2192.1°133.0°
C15C14C20H201177.9°179.9°
C15C16CL17C18179.8°180.0°
C15C16C18N190.9°0.0°
C16C15C14C13175.8°179.8°
C16C15C14C201.6°0.2°
C15C16C18H181179.1°180.0°
CL17C16C18N19179.0°179.9°
CL17C16C15H1511.1°0.3°
CL17C16C18H1811.0°0.0°
C16C18N19H181180.0°180.0°
C16C18N19C201.4°0.2°
C18C16C15H151179.0°179.8°
C18N19C20C142.1°0.5°
C18N19C20H201177.9°179.9°
N19C20C14C13176.0°179.5°
N19C20C14H201180.0°179.4°
C20N19C18H181178.6°179.7°
C14C13N12C09175.6°3.4°
C13C14C15H1514.2°0.0°
C13C14C20H2014.0°0.1°
O21C13N12C090.6°176.6°
O21C13C14C2081.9°47.0°
C05C04C22C23177.5°179.8°
C05C04C03C25178.7°179.6°
C05C04C22H2212.5°0.1°
C04C05H051H052118.9°120.0°
C04C22C23H221180.0°179.7°
C04C22C23C241.7°0.0°
C22C04C03C251.2°0.5°
C22C04C05H05196.5°20.1°
C22C04C05H052144.2°140.0°
C04C22C23H231178.3°180.0°
C22C23C24H231180.0°180.0°
C22C23C24C250.3°0.0°
C22C23C24H241179.7°180.0°
C23C24C25H241180.0°180.0°
C23C24C25C031.5°0.2°
C24C23C22H221178.3°179.7°
C23C24C25H251178.6°179.7°
C24C25C03H251180.0°179.8°
C25C24C23H231179.7°179.9°
C03C25C24H241178.5°179.8°
N12C09C08H08266.4°160.0°
N12C09C08H081176.0°80.0°
N12C09H092H091116.3°119.1°
C09N12C11H11152.6°30.2°
C09N12C11H112172.3°150.2°
C20C14C15H151178.4°180.0°
H101C10C11H11190.0°69.9°
H101C10C11H11229.7°50.1°
H102C10C11H111151.3°170.4°
H102C10C11H11289.0°69.7°
H221C22C23H2311.7°0.3°
H241C24C23H2310.3°0.1°
H241C24C25H2511.4°0.3°
H072C07C08H082169.6°92.6°
H072C07C08H08172.8°147.4°
H071C07C08H08272.9°27.7°
H071C07C08H08144.7°92.3°
H082C08C09H09254.8°79.5°
H082C08C09H091172.4°39.6°
H081C08C09H09262.8°40.5°
H081C08C09H09154.9°159.6°

222926

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