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0B9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19N4doub1.32Å1.34ÅAromatic
C19N5sing1.31Å1.33ÅAromatic
N4C2sing1.33Å1.34ÅAromatic
N5C20doub1.33Å1.34ÅAromatic
C3C4sing1.53Å1.51Å
C3N1sing1.47Å1.46Å
C2N1sing1.38Å1.36Å
C2C1doub1.40Å1.42ÅAromatic
C4C5sing1.53Å1.53Å
N1C18sing1.47Å1.46Å
C20C1sing1.41Å1.41ÅAromatic
C20N6sing1.37Å1.36ÅAromatic
C1C22sing1.46Å1.43ÅAromatic
C18C6sing1.53Å1.53Å
C5C6sing1.53Å1.52Å
N6C21sing1.37Å1.38ÅAromatic
C6N2sing1.46Å1.46Å
C22C21doub1.34Å1.36ÅAromatic
N2C7sing1.35Å1.34Å
C11C10sing1.53Å1.49Å
C11C9sing1.53Å1.49Å
C7O1doub1.21Å1.23Å
C7C8sing1.51Å1.53Å
C10C9sing1.53Å1.49Å
C9C8sing1.53Å1.51Å
C8N3sing1.46Å1.46Å
N3C12sing1.40Å1.39Å
C17C12doub1.39Å1.39ÅAromatic
C17C16sing1.38Å1.38ÅAromatic
CL1C16sing1.74Å1.74Å
C12C13sing1.39Å1.41ÅAromatic
C16C15doub1.38Å1.38ÅAromatic
C13C14doub1.38Å1.38ÅAromatic
C15C14sing1.39Å1.37ÅAromatic
C14F1sing1.35Å1.37Å
N3H1sing0.97Å1.00Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C13H10sing1.08Å1.08Å
C15H11sing1.08Å1.08Å
C17H12sing1.08Å1.08Å
C21H13sing1.08Å1.08Å
C22H14sing1.08Å1.08Å
C11H15sing1.09Å1.10Å
C11H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C19H19sing1.08Å1.08Å
C3H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
C9H22sing1.09Å1.10Å
N2H23sing0.97Å1.00Å
N6H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4C19N5127.7°122.7°
C19N4C2119.0°121.1°
N4C19H19116.1°118.6°
C19N5C20113.6°120.7°
N5C19H19116.1°118.7°
N4C2N1117.4°120.9°
N4C2C1118.7°118.3°
N5C20C1124.6°118.6°
N5C20N6126.9°134.3°
C4C3N1109.7°109.6°
C3C4C5110.6°109.3°
C3C4H2109.2°109.5°
C3C4H3109.2°109.5°
C4C3H20109.4°109.4°
C4C3H21109.4°109.4°
C3N1C2123.0°111.0°
C3N1C18112.5°111.2°
N1C3H20109.4°109.5°
N1C3H21109.4°109.5°
N1C2C1123.8°120.8°
C2N1C18124.5°111.0°
C2C1C20116.4°118.7°
C2C1C22137.3°135.1°
C4C5C6110.4°109.2°
C5C4H2109.2°109.5°
C5C4H3109.2°109.5°
C4C5H4109.3°109.5°
C4C5H5109.3°109.5°
N1C18C6109.4°109.5°
N1C18H17109.5°109.5°
N1C18H18109.5°109.4°
C1C20N6108.6°107.1°
C20C1C22106.3°106.2°
C20N6C21108.2°110.0°
C20N6H24125.9°125.0°
C1C22C21106.7°106.8°
C1C22H14126.7°126.5°
C18C6C5109.9°109.3°
C18C6N2110.4°109.5°
C18C6H6108.2°109.5°
C6C18H17109.5°109.4°
C6C18H18109.5°109.5°
C5C6N2110.7°109.5°
C6C5H4109.2°109.6°
C6C5H5109.2°109.5°
C5C6H6108.4°109.5°
N6C21C22110.2°109.8°
N6C21H13124.9°125.1°
C21N6H24125.9°125.0°
C6N2C7123.1°120.0°
N2C6H6109.2°109.4°
C6N2H23118.4°120.0°
C22C21H13124.9°125.1°
C21C22H14126.6°126.6°
N2C7O1122.3°120.0°
N2C7C8117.0°120.0°
C7N2H23118.5°120.0°
C10C11C960.1°60.0°
C11C10C960.0°60.0°
C11C10H8120.0°117.5°
C11C10H9120.0°117.5°
C10C11H15120.0°117.6°
C10C11H16120.0°117.5°
C11C9C1060.0°60.0°
C11C9C8123.3°117.5°
C9C11H15120.0°117.5°
C9C11H16120.0°117.5°
C11C9H22114.5°117.5°
O1C7C8120.7°120.0°
C7C8C9112.7°109.5°
C7C8N3111.9°109.5°
C7C8H7107.1°109.4°
C10C9C8119.8°117.5°
C9C10H8120.0°117.6°
C9C10H9120.0°117.5°
C10C9H22114.5°117.5°
C9C8N3109.4°109.5°
C9C8H7107.4°109.5°
C8C9H22114.2°115.6°
C8N3C12125.6°120.0°
C8N3H1105.3°120.0°
N3C8H7108.0°109.5°
N3C12C17120.0°120.1°
N3C12C13119.8°120.0°
C12N3H1105.3°120.0°
C12C17C16118.6°119.9°
C17C12C13120.1°119.9°
C12C17H12120.7°120.0°
C17C16CL1118.6°119.9°
C17C16C15122.5°120.1°
C16C17H12120.7°120.1°
CL1C16C15118.9°120.0°
C12C13C14118.8°119.9°
C12C13H10120.6°120.0°
C16C15C14118.0°120.1°
C16C15H11121.0°120.0°
C13C14C15122.1°120.1°
C13C14F1119.6°119.9°
C14C13H10120.6°120.1°
C15C14F1118.4°120.0°
C14C15H11121.0°119.9°
H2C4H3109.5°109.5°
H4C5H5109.5°109.6°
H8C10H9109.5°115.5°
H15C11H16109.5°115.5°
H17C18H18109.5°109.5°
H20C3H21109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4C19N5H19180.0°179.8°
N4C19N5C200.2°0.5°
C19N4C2N1178.6°180.0°
C19N4C2C10.0°0.0°
N5C19N4C20.5°0.2°
C19N5C20C10.6°0.5°
C19N5C20N6179.8°179.9°
N4C2N1C317.7°124.2°
N4C2N1C1178.6°180.0°
N4C2N1C18160.5°0.0°
N4C2C1C200.7°0.1°
N4C2C1C22178.7°180.0°
C2N4C19H19179.5°180.0°
N5C20C1C21.0°0.3°
N5C20C1N6179.4°179.7°
N5C20C1C22178.6°179.8°
N5C20N6C21178.4°179.7°
C20N5C19H19179.8°179.7°
N5C20N6H241.5°0.3°
C4C3N1H20120.0°120.0°
C4C3N1H21120.0°120.0°
C4C3N1C2120.9°174.2°
C3C4C5H2120.2°120.0°
C3C4C5H3120.2°119.9°
C4C3N1C1860.7°61.7°
C3C4C5C655.0°57.6°
C3C4H2H3119.5°120.1°
C3C4C5H4175.2°177.6°
C3C4C5H565.1°62.3°
C4C3H20H21119.9°119.9°
C3N1C2C18178.2°124.2°
C3N1C2C1163.7°55.8°
N1C3C4C556.7°59.1°
C3N1C18C660.9°61.7°
N1C3C4H263.5°179.1°
N1C3C4H3176.8°60.8°
C3N1C18H1759.1°58.3°
C3N1C18H18179.1°178.3°
N1C3H20H21119.9°120.0°
N1C2C1C20177.9°179.9°
N1C2C1C222.7°0.0°
C2N1C18C6120.7°174.2°
C2N1C18H17119.3°65.8°
C2N1C18H180.7°54.2°
C2N1C3H20119.1°54.2°
C2N1C3H210.9°65.8°
C1C2N1C1818.1°180.0°
C2C1C20C22179.6°179.9°
C2C1C20N6179.6°180.0°
C2C1C22C21179.8°180.0°
C2C1C22H140.2°0.1°
C4C5C6C1855.0°57.6°
C4C5C6H4120.2°119.9°
C4C5C6H5120.1°119.9°
C4C5C6N2177.2°177.6°
C5C4H2H3119.5°120.1°
C4C5H4H5119.6°120.1°
C4C5C6H663.1°62.4°
C5C4C3H2063.4°179.2°
C5C4C3H21176.7°60.9°
N1C18C6H17120.0°120.0°
N1C18C6H18120.0°120.0°
N1C18C6C557.2°59.2°
N1C18C6N2179.6°179.2°
N1C18C6H660.9°60.8°
N1C18H17H18120.0°120.0°
C18N1C3H2059.3°178.3°
C18N1C3H21179.3°58.3°
C1C20N6C210.9°0.0°
C20C1C22C210.4°0.1°
C20C1C22H14179.7°180.0°
C1C20N6H24179.1°179.9°
N6C20C1C220.8°0.0°
C20N6C21H24180.0°180.0°
C20N6C21C220.7°0.0°
C20N6C21H13179.3°180.0°
C1C22C21N60.2°0.1°
C1C22C21H14180.0°179.9°
C1C22C21H13179.8°180.0°
C18C6C5N2122.2°120.0°
C18C6C5H6118.1°120.0°
C18C6N2H6118.9°120.1°
C18C6N2C770.3°155.2°
C18C6C5H4175.1°177.6°
C18C6C5H565.2°62.2°
C6C18H17H18120.1°120.0°
C18C6N2H23109.7°24.9°
C5C6N2H6119.2°120.0°
C5C6N2C7167.8°85.0°
C6C5C4H265.1°177.6°
C6C5C4H3175.2°62.3°
C6C5H4H5119.6°120.2°
C5C6C18H1762.8°60.8°
C5C6C18H18177.2°179.2°
C5C6N2H2312.3°95.0°
N6C21C22H13180.0°180.0°
N6C21C22H14179.8°180.0°
C6N2C7H23180.0°180.0°
C6N2C7O14.9°0.0°
C6N2C7C8174.2°180.0°
N2C6C5H462.6°62.4°
N2C6C5H557.1°57.8°
N2C6C18H1759.6°59.2°
N2C6C18H1860.4°60.9°
C22C21N6H24179.3°180.0°
N2C7O1C8179.1°180.0°
N2C7C8C981.1°60.0°
N2C7C8N3155.0°180.0°
C7N2C6H648.6°35.1°
N2C7C8H736.8°60.0°
C10C11C9H15109.5°107.6°
C10C11C9H16109.5°107.4°
C11C10C9H8109.5°107.5°
C11C10C9H9109.5°107.5°
C10C11C9C8107.9°107.5°
C11C10H8H9144.8°145.7°
C10C11H15H16144.7°145.7°
C10C11C9H22105.2°107.5°
C11C9C8C716.3°117.0°
C11C9C8H22147.0°145.7°
C11C9C8N3141.5°3.1°
C11C9C8H7101.5°123.1°
C9C11H15H16144.7°145.7°
O1C7C8C998.0°120.0°
O1C7C8N325.8°0.0°
O1C7C8H7144.0°120.0°
O1C7N2H23175.1°179.9°
C7C8C9C1055.4°174.4°
C7C8C9N3125.2°120.0°
C7C8C9H7117.7°119.9°
C7C8N3H7117.7°120.0°
C7C8N3C1268.2°101.5°
C7C8N3H1169.6°78.5°
C7C8C9H22163.3°28.7°
C8C7N2H235.8°0.0°
C10C9C8H22141.3°145.7°
C10C9C8N369.8°65.6°
C10C9C8H7173.2°54.5°
C9C10H8H9144.7°145.7°
C9C8N3H7116.6°120.0°
C9C8N3C12166.1°138.5°
C9C8N3H143.9°41.5°
C8C9C10H8136.9°145.0°
C8C9C10H94.1°0.0°
C8C9C11H151.6°0.0°
C8C9C11H16142.7°145.0°
C8N3C12H1122.2°180.0°
C8N3C12C173.5°172.8°
C8N3C12C13176.9°7.2°
N3C8C9H2271.5°148.8°
N3C12C17C13179.6°180.0°
N3C12C17C16179.7°179.4°
N3C12C13C14179.8°180.0°
C12N3C8H749.5°18.5°
N3C12C13H100.2°0.3°
N3C12C17H120.3°0.0°
C12C17C16H12180.0°179.4°
C12C17C16CL1179.9°180.0°
C12C17C16C150.1°0.8°
C17C12C13C140.2°0.0°
C17C12N3H1125.7°7.3°
C17C12C13H10179.8°179.8°
C17C16CL1C15180.0°179.2°
C16C17C12C130.1°0.6°
C17C16C15C140.1°0.5°
C17C16C15H11179.9°179.4°
CL1C16C15C14179.8°179.7°
CL1C16C15H110.1°0.2°
CL1C16C17H120.1°0.6°
C12C13C14H10180.0°179.8°
C12C13C14C150.3°0.3°
C12C13C14F1179.7°179.7°
C13C12N3H154.7°172.8°
C13C12C17H12179.9°180.0°
C16C15C14C130.2°0.0°
C16C15C14H11180.0°179.9°
C16C15C14F1179.8°180.0°
C15C16C17H12180.0°179.8°
C13C14C15F1180.0°180.0°
C13C14C15H11179.8°180.0°
C15C14C13H10179.7°180.0°
F1C14C13H100.2°0.0°
F1C14C15H110.2°0.1°
H1N3C8H772.7°161.5°
H2C4C5H455.0°62.5°
H2C4C5H5174.8°57.7°
H2C4C3H20176.5°60.8°
H2C4C3H2156.5°59.1°
H3C4C5H464.7°57.6°
H3C4C5H555.1°177.8°
H3C4C3H2056.8°59.3°
H3C4C3H2163.2°179.2°
H4C5C6H657.1°57.6°
H5C5C6H6176.8°177.8°
H6C6C18H17179.1°179.2°
H6C6C18H1859.0°59.2°
H6C6N2H23131.5°145.0°
H7C8C9H2245.5°91.2°
H8C10C11H15141.0°145.0°
H8C10C11H160.0°0.0°
H8C10C9H224.3°0.0°
H9C10C11H150.1°0.0°
H9C10C11H16141.1°145.0°
H9C10C9H22145.3°145.0°
H13C21C22H140.2°0.1°
H13C21N6H240.7°0.1°
H15C11C9H22145.3°145.0°
H16C11C9H224.3°0.0°

225946

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