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UWH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15O14sing1.43Å1.44Å
O14C13sing1.43Å1.43Å
C13C12sing1.53Å1.56Å
C12N11sing1.47Å1.30Å
N11C10sing1.47Å1.38Å
N11C16sing1.47Å1.38Å
C10C09sing1.53Å1.54Å
C16C17sing1.53Å1.55Å
C09N08sing1.47Å1.47Å
N08C17sing1.47Å1.47Å
N08S06sing1.66Å1.71Å
O18S06doub1.42Å1.46Å
S06O07doub1.42Å1.46Å
S06C05sing1.76Å1.86Å
C05C04doub1.38Å1.39ÅAromatic
C05C19sing1.38Å1.41ÅAromatic
C04C03sing1.38Å1.37ÅAromatic
C19C20doub1.38Å1.40ÅAromatic
C03C02doub1.40Å1.41ÅAromatic
C20C02sing1.40Å1.39ÅAromatic
C02C01sing1.47Å1.50Å
C01H1sing1.08Å1.08Å
C03H4sing1.08Å1.08Å
C04H5sing1.08Å1.08Å
C09H6sing1.09Å1.10Å
C09H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C19H21sing1.08Å1.08Å
C20H22sing1.08Å1.08Å
C01O1doub1.21Å1.42Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15O14C13111.7°114.0°
O14C15H14109.5°109.4°
O14C15H15109.5°109.5°
O14C15H16109.5°109.5°
O14C13C12117.0°109.5°
O14C13H12107.5°109.5°
O14C13H13107.6°109.5°
C13C12N11113.8°109.5°
C13C12H10108.4°109.5°
C13C12H11108.4°109.5°
C12C13H12107.6°109.4°
C12C13H13107.6°109.5°
C12N11C10115.1°111.0°
C12N11C16117.3°111.0°
N11C12H10108.4°109.5°
N11C12H11108.4°109.4°
C10N11C16113.6°111.3°
N11C10C09111.6°109.3°
N11C10H8109.0°109.4°
N11C10H9109.0°109.5°
N11C16C17110.6°109.4°
N11C16H17109.2°109.5°
N11C16H18109.2°109.5°
C10C09N08114.5°108.6°
C10C09H6108.2°109.6°
C10C09H7108.2°109.8°
C09C10H8109.0°109.5°
C09C10H9108.9°109.5°
C16C17N08113.3°108.5°
C17C16H17109.2°109.5°
C17C16H18109.2°109.5°
C16C17H19108.5°109.6°
C16C17H20108.5°109.6°
C09N08C17111.4°118.2°
C09N08S06118.0°120.9°
N08C09H6108.2°109.6°
N08C09H7108.2°109.6°
C17N08S06122.6°120.9°
N08C17H19108.5°109.6°
N08C17H20108.5°109.8°
N08S06O18113.3°106.4°
N08S06O07110.8°106.4°
N08S06C05104.2°107.2°
O18S06O07106.8°123.2°
O18S06C05109.7°106.4°
O07S06C05112.2°106.4°
S06C05C04115.0°119.8°
S06C05C19121.9°119.8°
C04C05C19123.1°120.4°
C05C04C03118.5°120.2°
C05C04H5120.7°119.9°
C05C19C20118.3°120.2°
C05C19H21120.9°119.9°
C04C03C02119.3°119.8°
C04C03H4120.4°120.1°
C03C04H5120.8°119.9°
C19C20C02118.3°119.8°
C20C19H21120.9°119.9°
C19C20H22120.8°120.1°
C03C02C20122.6°119.7°
C03C02C01114.1°120.2°
C02C03H4120.3°120.1°
C20C02C01123.3°120.2°
C02C20H22120.8°120.1°
C02C01H1126.0°120.0°
C02C01O1107.9°120.0°
H1C01O1126.0°120.0°
H6C09H7109.5°109.6°
H8C10H9109.5°109.5°
H10C12H11109.5°109.5°
H12C13H13109.5°109.5°
H14C15H15109.5°109.5°
H14C15H16109.5°109.5°
H15C15H16109.5°109.5°
H17C16H18109.5°109.5°
H19C17H20109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15O14C13C12121.8°180.0°
C15O14C13H120.7°60.0°
C15O14C13H13117.1°60.0°
O14C15H14H15120.0°120.1°
O14C15H14H16120.0°119.9°
O14C15H15H16120.0°120.0°
O14C13C12H12121.1°120.0°
O14C13C12H13121.1°120.0°
O14C13C12N11140.3°64.5°
O14C13C12H1099.0°175.4°
O14C13C12H1119.7°55.4°
O14C13H12H13116.6°120.0°
C13O14C15H14180.0°180.0°
C13O14C15H1560.0°60.0°
C13O14C15H1660.0°60.0°
C13C12N11H10120.7°120.0°
C13C12N11H11120.6°120.0°
C13C12N11C1058.7°75.7°
C13C12N11C1679.0°160.0°
C13C12H10H11118.0°120.0°
C12C13H12H13116.6°120.0°
C12N11C10C16139.3°124.2°
C12N11C10C09174.9°172.8°
C12N11C16C17155.3°172.8°
C12N11C10H854.6°67.3°
C12N11C10H964.8°52.8°
N11C12H10H11118.0°120.0°
N11C12C13H1219.2°175.5°
N11C12C13H1398.6°55.5°
C12N11C16H1784.5°52.8°
C12N11C16H1835.2°67.3°
N11C10C09H8120.3°119.9°
N11C10C09H9120.3°120.0°
C10N11C16C1766.4°63.1°
N11C10C09N0813.9°53.8°
N11C10C09H6134.6°65.9°
N11C10C09H7106.9°173.7°
N11C10H8H9119.1°120.0°
C10N11C12H10179.4°44.3°
C10N11C12H1161.9°164.3°
C10N11C16H1753.8°176.9°
C10N11C16H18173.5°56.9°
C16N11C10C0945.8°63.1°
N11C16C17H17120.1°120.0°
N11C16C17H18120.2°120.0°
N11C16C17N0824.6°53.8°
C16N11C10H8166.1°56.9°
C16N11C10H974.5°177.0°
C16N11C12H1041.7°80.0°
C16N11C12H11160.4°40.0°
N11C16H17H18119.5°120.1°
N11C16C17H19145.1°173.5°
N11C16C17H2096.0°66.1°
C10C09N08H6120.7°119.8°
C10C09N08H7120.8°119.9°
C10C09N08C1750.8°51.2°
C10C09N08S06159.5°128.8°
C10C09H6H7117.7°120.5°
C09C10H8H9119.0°120.1°
C16C17N08C0930.6°51.2°
C16C17N08H19120.6°119.7°
C16C17N08H20120.6°119.7°
C16C17N08S06178.7°128.9°
C17C16H17H18119.5°120.0°
C16C17H19H20118.3°120.3°
C09N08C17S06148.1°180.0°
C09N08S06O1824.1°156.5°
C09N08S06O07144.1°23.5°
C09N08S06C0595.0°90.0°
N08C09H6H7117.7°120.4°
N08C09C10H8106.5°66.1°
N08C09C10H9134.2°173.8°
C09N08C17H1990.0°170.9°
C09N08C17H20151.2°68.6°
C17N08S06O18170.2°23.5°
C17N08S06O0769.8°156.5°
C17N08S06C0551.0°90.0°
C17N08C09H6171.5°68.5°
C17N08C09H770.0°171.1°
N08C17C16H1795.6°173.8°
N08C17C16H18144.8°66.2°
N08C17H19H20118.3°120.6°
N08S06O18O07122.3°123.0°
N08S06O18C05115.9°114.1°
N08S06O07C05116.0°114.1°
N08S06C05C0477.9°90.0°
N08S06C05C19100.3°90.0°
S06N08C09H638.8°111.4°
S06N08C09H779.7°8.9°
S06N08C17H1958.1°9.1°
S06N08C17H2060.7°111.4°
O18S06O07C05120.2°123.0°
O18S06C05C0443.7°23.5°
O18S06C05C19138.1°156.4°
O07S06C05C04162.2°156.5°
O07S06C05C1919.6°23.5°
S06C05C04C19178.2°180.0°
S06C05C04C03178.8°179.9°
S06C05C19C20179.1°179.7°
S06C05C04H51.2°0.0°
S06C05C19H211.0°0.0°
C05C04C03H5180.0°180.0°
C04C05C19C201.0°0.3°
C05C04C03C020.3°0.1°
C05C04C03H4179.7°179.9°
C04C05C19H21179.0°180.0°
C19C05C04C030.7°0.0°
C05C19C20H21180.0°179.7°
C05C19C20C020.4°0.6°
C19C05C04H5179.3°180.0°
C05C19C20H22179.7°180.0°
C04C03C02H4180.0°180.0°
C04C03C02C200.9°0.2°
C04C03C02C01179.8°180.0°
C19C20C02C030.6°0.5°
C19C20C02H22180.0°179.4°
C19C20C02C01179.4°179.7°
C03C02C20C01178.8°179.8°
C03C02C01H118.5°180.0°
C02C03C04H5179.7°180.0°
C03C02C20H22179.4°180.0°
C03C02C01O1161.5°0.3°
C20C02C01H1160.4°0.2°
C20C02C03H4179.1°179.8°
C02C20C19H21179.7°179.7°
C20C02C01O119.7°179.5°
C02C01H1O1180.0°179.7°
C01C02C03H40.2°0.0°
C01C02C20H220.6°0.2°
H4C03C04H50.3°0.0°
H6C09C10H814.2°174.2°
H6C09C10H9105.1°54.0°
H7C09C10H8132.8°53.8°
H7C09C10H913.4°66.4°
H10C12C13H12139.9°55.5°
H10C12C13H1322.1°64.5°
H11C12C13H12101.4°64.6°
H11C12C13H13140.8°175.4°
H14C15H15H16120.0°120.0°
H17C16C17H1925.0°66.4°
H17C16C17H20143.8°53.9°
H18C16C17H1994.7°53.6°
H18C16C17H2024.2°173.9°
H21C19C20H220.3°0.3°

223790

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