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HWN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18N5sing1.47Å1.47Å
N1C3trip1.14Å1.14Å
CNsing1.47Å1.46Å
C19N5sing1.49Å1.45Å
C19C15sing1.54Å1.52Å
C3C2sing1.47Å1.47Å
N5C17sing1.49Å1.45Å
NC1sing1.47Å1.47Å
NC4sing1.38Å1.42Å
C1C2sing1.53Å1.53Å
C15C16sing1.54Å1.50Å
C15N4sing1.46Å1.45Å
C4N2doub1.33Å1.35ÅAromatic
C4C9sing1.41Å1.41ÅAromatic
C16C17sing1.54Å1.50Å
N2C5sing1.33Å1.36ÅAromatic
C9Ssing1.76Å1.70ÅAromatic
C9C6doub1.40Å1.38ÅAromatic
C5N4sing1.39Å1.40Å
C5N3doub1.32Å1.35ÅAromatic
SC8sing1.76Å1.74ÅAromatic
N4C14sing1.47Å1.45Å
C6N3sing1.35Å1.34ÅAromatic
C6C7sing1.40Å1.45ÅAromatic
C12C10sing1.53Å1.53Å
C8C7doub1.32Å1.39ÅAromatic
C8C10sing1.51Å1.50Å
C11C10sing1.53Å1.53Å
C10C13sing1.53Å1.52Å
C11H1sing1.09Å1.10Å
C11H2sing1.09Å1.10Å
C11H3sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
C2H9sing1.09Å1.10Å
CH10sing1.09Å1.10Å
CH11sing1.09Å1.10Å
CH12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C12H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C14H21sing1.09Å1.10Å
C15H22sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
C18H27sing1.09Å1.10Å
C18H28sing1.09Å1.10Å
C17H29sing1.09Å1.10Å
C17H30sing1.09Å1.10Å
C16H31sing1.09Å1.10Å
C16H32sing1.09Å1.10Å
C7H6sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18N5C19122.7°111.0°
C18N5C17122.6°111.0°
N5C18H26109.5°109.5°
N5C18H27109.4°109.5°
N5C18H28109.5°109.4°
N1C3C2178.0°180.0°
CNC1117.0°111.0°
CNC4119.4°111.0°
NCH10109.5°109.4°
NCH11109.4°109.4°
NCH12109.5°109.5°
N5C19C15101.4°104.6°
C19N5C17114.6°104.2°
N5C19H23111.4°110.4°
N5C19H24111.5°110.5°
C19C15C16103.6°105.1°
C19C15N4101.9°110.3°
C19C15H22114.3°110.4°
C15C19H23111.4°110.4°
C15C19H24111.5°110.4°
C3C2C1111.3°109.5°
C3C2H8109.0°109.5°
C3C2H9109.0°109.5°
N5C17C1695.8°104.6°
N5C17H29112.8°110.4°
N5C17H30112.8°110.4°
C1NC4123.6°111.0°
NC1C2111.9°109.5°
NC1H4108.9°109.5°
NC1H5108.8°109.4°
NC4N2116.4°120.5°
NC4C9126.5°120.5°
C2C1H4108.9°109.4°
C2C1H5108.9°109.5°
C1C2H8109.0°109.4°
C1C2H9109.0°109.5°
C16C15N4105.2°110.3°
C15C16C17105.1°105.1°
C16C15H22114.7°110.3°
C15C16H31110.5°110.3°
C15C16H32110.6°110.3°
C15N4C5121.2°120.0°
C15N4C14121.2°120.0°
N4C15H22115.6°110.3°
N2C4C9117.1°119.0°
C4N2C5122.2°120.7°
C4C9S131.9°131.6°
C4C9C6119.9°119.0°
C16C17H29112.7°110.4°
C16C17H30112.8°110.6°
C17C16H31110.6°110.3°
C17C16H32110.5°110.3°
N2C5N4121.7°118.8°
N2C5N3120.0°122.4°
SC9C6108.2°109.5°
C9SC893.4°91.5°
C9C6N3119.9°117.9°
C9C6C7118.4°112.5°
N4C5N3118.3°118.8°
C5N4C14117.5°120.0°
C5N3C6120.9°121.0°
SC8C7113.6°110.7°
SC8C10121.8°124.7°
N4C14H19109.5°109.5°
N4C14H20109.4°109.4°
N4C14H21109.5°109.5°
N3C6C7121.7°129.6°
C6C7C8106.3°115.8°
C6C7H6126.8°122.1°
C12C10C8108.2°109.5°
C12C10C11109.0°109.4°
C12C10C13111.3°109.5°
C10C12H16109.5°109.5°
C10C12H17109.4°109.5°
C10C12H18109.5°109.5°
C7C8C10124.5°124.6°
C8C7H6126.9°122.1°
C8C10C11111.1°109.5°
C8C10C13107.8°109.5°
C11C10C13109.5°109.5°
C10C11H1109.5°109.5°
C10C11H2109.5°109.5°
C10C11H3109.4°109.4°
C10C13H13109.5°109.5°
C10C13H14109.4°109.5°
C10C13H15109.5°109.4°
H1C11H2109.5°109.5°
H1C11H3109.5°109.5°
H2C11H3109.5°109.4°
H4C1H5109.5°109.5°
H8C2H9109.5°109.5°
H10CH11109.4°109.4°
H10CH12109.5°109.5°
H11CH12109.5°109.4°
H13C13H14109.5°109.5°
H13C13H15109.5°109.5°
H14C13H15109.5°109.5°
H16C12H17109.5°109.5°
H16C12H18109.5°109.4°
H17C12H18109.5°109.4°
H19C14H20109.4°109.4°
H19C14H21109.5°109.5°
H20C14H21109.5°109.5°
H23C19H24109.5°110.4°
H26C18H27109.5°109.5°
H26C18H28109.5°109.4°
H27C18H28109.5°109.5°
H29C17H30109.5°110.3°
H31C16H32109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18N5C19C17177.8°119.6°
C18N5C19C15163.4°159.0°
C18N5C17C16141.9°159.0°
C18N5C19H2344.8°40.3°
C18N5C19H2477.9°82.1°
N5C18H26H27120.0°120.0°
N5C18H26H28120.0°119.9°
N5C18H27H28120.0°120.0°
C18N5C17H29100.4°40.2°
C18N5C17H3024.3°82.0°
N1C3C2C1123.1°106.0°
N1C3C2H82.8°134.0°
N1C3C2H9116.7°14.0°
CNC1C4179.1°124.0°
CNC1C2144.5°66.0°
CNC4N2125.8°124.0°
CNC4C952.6°57.0°
CNC1H424.1°54.0°
CNC1H595.1°174.0°
NCH10H11120.0°119.9°
NCH10H12120.0°120.1°
NCH11H12120.0°120.0°
N5C19C15H23118.6°118.8°
N5C19C15H24118.7°118.9°
N5C19C15C1614.4°23.8°
N5C19C15N494.7°142.7°
C19N5C17C1635.9°39.4°
N5C19C15H22139.9°95.1°
N5C19H23H24123.8°122.4°
C19N5C18H26180.0°59.9°
C19N5C18H2760.0°180.0°
C19N5C18H2860.0°60.0°
C19N5C17H2981.8°79.3°
C19N5C17H30153.6°158.4°
C15C19N5C1714.4°39.4°
C19C15C16N4106.6°118.9°
C19C15C16H22125.3°119.0°
C19C15N4H22124.5°122.2°
C19C15C16C1737.3°0.0°
C19C15N4C555.9°124.3°
C19C15N4C14121.4°55.6°
C15C19H23H24123.8°122.4°
C19C15C16H3182.0°118.8°
C19C15C16H32156.6°118.9°
C3C2C1N122.9°180.0°
C3C2C1H8120.2°120.0°
C3C2C1H9120.2°120.0°
C3C2C1H42.6°60.0°
C3C2C1H5116.7°60.0°
C3C2H8H9119.2°120.0°
N5C17C16C1542.9°23.8°
N5C17C16H29117.7°118.8°
N5C17C16H30117.7°118.8°
C17N5C19H23133.1°79.3°
C17N5C19H24104.3°158.3°
C17N5C18H262.3°175.4°
C17N5C18H27122.3°64.6°
C17N5C18H28117.7°55.4°
N5C17H29H30126.5°122.3°
N5C17C16H3176.5°95.0°
N5C17C16H32162.2°142.7°
NC1C2H4120.4°120.0°
NC1C2H5120.4°120.0°
C1NC4N253.2°0.0°
C1NC4C9128.4°179.1°
NC1H4H5118.9°120.0°
NC1C2H82.7°60.0°
NC1C2H9116.8°60.0°
C1NCH10180.0°60.1°
C1NCH1160.0°180.0°
C1NCH1260.0°60.0°
C4NC1C234.6°170.0°
NC4N2C9178.5°179.1°
NC4N2C5179.4°180.0°
NC4C9S0.2°0.3°
NC4C9C6178.8°179.6°
C4NC1H4155.0°70.0°
C4NC1H585.8°50.0°
C4NCH100.9°63.9°
C4NCH11120.9°56.0°
C4NCH12119.1°176.0°
C2C1H4H5118.9°120.0°
C1C2H8H9119.2°120.0°
C16C15N4H22127.6°122.1°
C15C16C17H31119.3°118.9°
C15C16C17H32119.3°118.9°
C16C15N4C5163.8°120.0°
C16C15N4C1413.5°60.0°
C16C15C19H23104.3°94.9°
C16C15C19H24133.1°142.7°
C15C16C17H2974.8°94.9°
C15C16C17H30160.5°142.7°
C15C16H31H32122.0°122.2°
N4C15C16C1769.3°118.9°
C15N4C5N242.2°180.0°
C15N4C5C14177.4°180.0°
C15N4C5N3137.4°0.6°
C15N4C14H19180.0°90.0°
C15N4C14H2060.0°30.0°
C15N4C14H2160.0°150.0°
N4C15C19H23146.6°24.0°
N4C15C19H2423.9°98.4°
N4C15C16H31171.4°122.2°
N4C15C16H3250.0°0.0°
N2C4C9S178.6°179.4°
N2C4C9C60.4°0.6°
C4N2C5N4179.9°180.0°
C4N2C5N30.5°0.7°
C9C4N2C50.9°0.9°
C4C9SC6179.0°180.0°
C4C9SC8179.3°179.9°
C4C9C6N30.5°0.0°
C4C9C6C7179.4°179.7°
C17C16C15H22162.6°118.9°
C16C17H29H30126.4°122.5°
C17C16H31H32122.0°122.2°
N2C5N4N3179.6°179.3°
N2C5N4C14140.4°0.0°
N2C5N3C60.4°0.1°
SC9C6N3179.7°180.0°
SC9C6C70.3°0.3°
C9SC8C70.2°0.0°
C9SC8C10179.5°179.9°
C9C6N3C50.9°0.3°
C6C9SC80.3°0.2°
C9C6N3C7179.9°179.7°
C9C6C7C80.1°0.3°
C9C6C7H6179.9°179.7°
N4C5N3C6179.2°179.4°
C5N4C14H192.5°90.0°
C5N4C14H20117.4°150.0°
C5N4C14H21122.6°30.0°
C5N4C15H2268.6°2.1°
N3C5N4C1440.0°179.4°
C5N3C6C7179.0°179.9°
SC8C7C60.1°0.2°
SC8C10C1213.8°0.2°
SC8C7C10179.7°179.8°
SC8C10C11133.4°120.2°
SC8C10C13106.7°119.8°
SC8C7H6179.9°179.8°
N4C14H19H20120.0°119.9°
N4C14H19H21120.0°120.0°
N4C14H20H21120.0°120.0°
C14N4C15H22114.1°177.9°
N3C6C7C8179.8°180.0°
N3C6C7H60.2°0.0°
C6C7C8H6180.0°180.0°
C6C7C8C10179.6°180.0°
C12C10C8C7166.6°180.0°
C12C10C8C11119.6°120.0°
C12C10C8C13120.5°120.0°
C12C10C11C13121.9°120.0°
C12C10C11H1180.0°60.0°
C12C10C11H260.0°60.0°
C12C10C11H360.0°180.0°
C12C10C13H13180.0°60.0°
C12C10C13H1460.0°60.0°
C12C10C13H1560.0°180.0°
C10C12H16H17120.0°120.0°
C10C12H16H18120.0°120.0°
C10C12H17H18120.0°120.1°
C7C8C10C1146.9°60.0°
C7C8C10C1373.0°60.0°
C8C10C11C13118.9°120.0°
C8C10C11H160.8°60.0°
C8C10C11H2179.2°180.0°
C8C10C11H359.2°60.1°
C8C10C13H1361.4°180.0°
C8C10C13H1458.5°60.0°
C8C10C13H15178.5°60.1°
C8C10C12H16180.0°60.0°
C8C10C12H1760.0°60.0°
C8C10C12H1860.0°180.0°
C10C8C7H60.4°0.0°
C10C11H1H2120.0°120.1°
C10C11H1H3120.0°120.0°
C10C11H2H3119.9°119.9°
C11C10C13H1359.5°60.0°
C11C10C13H14179.4°180.0°
C11C10C13H1560.5°60.0°
C11C10C12H1659.1°60.0°
C11C10C12H17179.1°180.0°
C11C10C12H1860.9°60.0°
C13C10C11H158.1°180.0°
C13C10C11H261.9°59.9°
C13C10C11H3178.1°60.0°
C10C13H13H14120.0°120.0°
C10C13H13H15120.0°120.0°
C10C13H14H15120.0°120.0°
C13C10C12H1661.7°180.0°
C13C10C12H1758.3°60.0°
C13C10C12H18178.2°60.0°
H1C11H2H3120.0°120.0°
H4C1C2H8117.7°180.0°
H4C1C2H9122.8°60.0°
H5C1C2H8123.1°60.0°
H5C1C2H93.5°180.0°
H10CH11H12120.0°120.1°
H13C13H14H15120.0°120.0°
H16C12H17H18120.0°119.9°
H19C14H20H21120.0°120.0°
H22C15C19H2321.3°146.2°
H22C15C19H24101.4°23.8°
H22C15C16H3143.2°0.1°
H22C15C16H3278.1°122.2°
H26C18H27H28120.0°120.0°
H29C17C16H31165.9°146.2°
H29C17C16H3244.5°24.0°
H30C17C16H3141.2°23.8°
H30C17C16H3280.1°98.4°

224931

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