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KG0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13C05sing1.53Å1.53Å
C13C01sing1.53Å1.53Å
C05C01sing1.53Å1.53Å
C01C06sing1.53Å1.54Å
C06O05sing1.43Å1.41Å
O05C04sing1.35Å1.41Å
C04C07sing1.41Å1.47Å
C04C03doub1.38Å1.48Å
C07C08doub1.35Å1.53Å
C03C02sing1.40Å1.53Å
C08C09sing1.51Å1.52Å
C08O26sing1.34Å1.46Å
C10C09sing1.53Å1.53Å
C10C11sing1.53Å1.55Å
C09N13sing1.47Å1.45Å
C02O26sing1.34Å1.45Å
C02O01doub1.22Å1.19Å
C12C11sing1.53Å1.55Å
O25C14doub1.21Å1.19Å
N13C14sing1.35Å1.47Å
C14C15sing1.51Å1.55Å
C15C17sing1.54Å1.57Å
C15C16sing1.53Å1.37Å
C15N24sing1.45Å1.65Å
C17S18sing1.82Å1.64Å
N24C19doub1.28Å1.53Å
S18C19sing1.77Å1.58Å
C19C20sing1.48Å1.54Å
C21C20sing1.51Å1.54Å
C20N22doub1.29Å1.25Å
N22O23sing1.42Å1.41Å
O23H231sing0.97Å0.95Å
C01H011sing1.09Å1.10Å
C03H031sing1.08Å1.08Å
C05H052sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C07H071sing1.08Å1.08Å
C09H093sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C12H123sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
N13H133sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C05C13C0159.9°60.0°
C13C05C0160.0°60.0°
C13C05H052120.0°117.5°
C13C05H051120.0°117.5°
C05C13H132120.0°117.5°
C05C13H131120.0°117.5°
C13C01C0560.1°60.0°
C13C01C06115.7°117.5°
C13C01H011117.9°117.5°
C01C13H132120.0°117.5°
C01C13H131120.0°117.5°
C05C01C06115.2°117.5°
C05C01H011117.8°117.5°
C01C05H052120.0°117.5°
C01C05H051120.0°117.5°
C01C06O05107.4°109.4°
C06C01H011117.6°115.6°
C01C06H061110.0°109.5°
C01C06H062110.0°109.5°
C06O05C04115.4°117.0°
O05C06H061110.0°109.4°
O05C06H062110.0°109.5°
O05C04C07117.1°120.7°
O05C04C03119.5°120.6°
C07C04C03118.7°118.7°
C04C07C08119.3°119.8°
C04C07H071120.4°120.1°
C04C03C02120.5°118.8°
C04C03H031119.7°120.6°
C07C08C09120.6°119.4°
C07C08O26121.0°121.2°
C08C07H071120.3°120.1°
C03C02O26119.6°120.2°
C03C02O01121.3°119.9°
C02C03H031119.8°120.6°
C09C08O26117.9°119.4°
C08C09C10109.3°109.5°
C08C09N13106.6°109.5°
C08C09H093109.8°109.5°
C08O26C02119.6°121.4°
C09C10C11112.9°109.5°
C10C09N13110.6°109.4°
C10C09H093109.7°109.5°
C09C10H101108.6°109.5°
C09C10H102108.6°109.5°
C10C11C12111.7°109.5°
C11C10H101108.6°109.5°
C11C10H102108.6°109.4°
C10C11H112108.9°109.5°
C10C11H111108.9°109.4°
C09N13C14120.1°120.0°
N13C09H093110.8°109.5°
C09N13H133120.0°119.9°
O26C02O01119.1°119.9°
C12C11H112108.9°109.5°
C12C11H111108.9°109.5°
C11C12H123109.5°109.5°
C11C12H122109.5°109.4°
C11C12H121109.5°109.4°
O25C14N13120.1°120.0°
O25C14C15120.7°120.0°
N13C14C15119.2°120.0°
C14N13H133120.0°120.0°
C14C15C17110.3°109.2°
C14C15C16110.4°109.1°
C14C15N24109.3°109.2°
C17C15C16111.0°109.1°
C17C15N24106.1°111.2°
C15C17S18106.3°103.3°
C15C17H172110.3°110.7°
C15C17H171110.3°110.7°
C16C15N24109.7°109.0°
C15C16H161109.5°109.5°
C15C16H162109.5°109.5°
C15C16H163109.5°109.5°
C15N24C19108.7°119.8°
C17S18C19106.4°95.7°
S18C17H172110.3°110.7°
S18C17H171110.3°110.6°
N24C19S18108.0°110.0°
N24C19C20124.8°125.0°
S18C19C20125.6°125.0°
C19C20C21120.4°120.0°
C19C20N22119.5°120.0°
C21C20N22120.2°120.0°
C20C21H211109.5°109.4°
C20C21H212109.5°109.4°
C20C21H213109.5°109.5°
C20N22O23120.1°120.0°
N22O23H231109.5°114.0°
H052C05H051109.5°115.6°
H061C06H062109.5°109.5°
H101C10H102109.5°109.5°
H112C11H111109.5°109.5°
H123C12H122109.5°109.5°
H123C12H121109.4°109.5°
H122C12H121109.5°109.5°
H132C13H131109.5°115.5°
H161C16H162109.5°109.5°
H161C16H163109.5°109.4°
H162C16H163109.4°109.4°
H172C17H171109.4°110.7°
H211C21H212109.4°109.5°
H211C21H213109.5°109.5°
H212C21H213109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C05C13C01H132109.5°107.5°
C05C13C01H131109.5°107.5°
C13C05C01H052109.5°107.4°
C13C05C01H051109.4°107.5°
C05C13C01C06105.6°107.5°
C05C13C01H011107.8°107.5°
C13C05H052H051144.7°145.7°
C05C13H132H131144.8°145.7°
C13C01C06H011146.7°145.7°
C13C01C06O05115.5°116.3°
C13C01C06H061124.8°3.7°
C13C01C06H0624.1°123.7°
C01C13H132H131144.7°145.7°
C05C01C06H011145.9°145.6°
C05C01C06O0548.2°175.1°
C01C05H052H051144.8°145.7°
C05C01C06H061167.9°65.0°
C05C01C06H06271.5°55.0°
C01C06O05H061119.7°120.0°
C01C06O05H062119.7°120.0°
C01C06O05C04159.6°180.0°
C06C01C05H0523.1°145.0°
C06C01C05H051144.2°0.0°
C01C06H061H062120.9°120.0°
C06C01C13H132144.9°0.0°
C06C01C13H1313.9°145.0°
C06O05C04C07142.7°179.9°
C06O05C04C0362.0°0.1°
O05C06C01H01197.7°29.5°
O05C06H061H062120.9°120.0°
O05C04C07C03155.5°179.9°
O05C04C07C08146.0°180.0°
O05C04C03C02150.0°179.9°
O05C04C03H03130.0°0.0°
C04O05C06H06139.9°60.0°
C04O05C06H06280.7°60.0°
O05C04C07H07134.0°0.1°
C04C07C08H071180.0°179.9°
C07C04C03C024.9°0.0°
C04C07C08C09167.8°179.9°
C04C07C08O263.5°0.1°
C07C04C03H031175.1°179.9°
C03C04C07C089.5°0.1°
C04C03C02H031180.0°179.9°
C04C03C02O266.1°0.0°
C04C03C02O01173.8°180.0°
C03C04C07H071170.5°180.0°
C07C08C09O26171.6°180.0°
C07C08C09C10102.0°115.0°
C07C08C09N13138.4°125.0°
C07C08O26C027.5°0.0°
C07C08C09H09318.3°5.0°
C03C02O26C0812.2°0.0°
C03C02O26O01179.9°180.0°
C08C09C10N13117.1°120.0°
C08C09C10H093120.4°120.1°
C08C09C10C11168.6°175.0°
C08C09N13H093119.4°120.1°
C09C08O26C02179.1°180.0°
C08C09N13C14130.1°155.0°
C09C08C07H07112.2°0.0°
C08C09C10H10170.9°55.0°
C08C09C10H10248.1°65.0°
C08C09N13H13349.9°25.0°
O26C08C09C1069.6°65.0°
O26C08C09N1350.0°55.0°
C08O26C02O01167.7°180.0°
O26C08C07H071176.5°180.0°
O26C08C09H093170.1°175.0°
C09C10C11H101120.5°120.0°
C09C10C11H102120.5°120.0°
C10C09N13H093121.9°120.0°
C09C10C11C12175.7°NaN°
C10C09N13C14111.2°85.0°
C09C10H101H102118.5°120.0°
C09C10C11H11264.0°60.0°
C09C10C11H11155.4°60.0°
C10C09N13H13368.9°95.0°
C11C10C09N1351.5°65.0°
C10C11C12H112120.3°120.0°
C10C11C12H111120.3°120.0°
C11C10C09H09371.0°55.0°
C11C10H101H102118.4°120.0°
C10C11H112H111119.0°120.0°
C10C11C12H123180.0°180.0°
C10C11C12H12260.0°60.0°
C10C11C12H12160.0°60.0°
C09N13C14O250.4°0.0°
C09N13C14H133180.0°180.0°
C09N13C14C15180.0°179.9°
N13C09C10H101172.0°175.0°
N13C09C10H10269.0°55.0°
O26C02C03H031173.9°179.9°
O01C02C03H0316.2°0.1°
C12C11C10H10155.2°60.0°
C12C11C10H10263.8°60.0°
C12C11H112H111119.0°120.0°
C11C12H123H122120.0°120.0°
C11C12H123H121120.0°119.9°
C11C12H122H121120.0°120.0°
O25C14N13C15179.6°180.0°
O25C14C15C1756.0°25.0°
O25C14C15C1667.0°94.2°
O25C14C15N24172.3°146.8°
O25C14N13H133179.6°180.0°
N13C14C15C17124.4°155.0°
N13C14C15C16112.6°85.8°
N13C14C15N248.1°33.2°
C14N13C09H09310.7°34.9°
C14C15C17C16122.7°119.2°
C14C15C17N24118.3°120.5°
C14C15C16N24120.5°119.1°
C14C15C17S18131.6°120.5°
C14C15N24C19120.0°120.5°
C14C15C16H161180.0°59.2°
C14C15C16H16260.0°179.3°
C14C15C16H16360.0°60.7°
C14C15C17H17212.1°2.0°
C14C15C17H171108.8°121.1°
C15C14N13H1330.0°0.0°
C17C15C16N24116.9°121.6°
C15C17S18H172119.5°118.5°
C15C17S18H171119.5°118.5°
C17C15N24C191.1°0.1°
C15C17S18C1920.9°0.0°
C17C15C16H16157.4°178.4°
C17C15C16H16262.6°61.4°
C17C15C16H163177.4°58.5°
C15C17H172H171121.4°123.1°
C16C15C17S18105.7°120.3°
C16C15N24C19118.8°120.4°
C15C16H161H162120.0°120.1°
C15C16H161H163120.0°120.0°
C15C16H162H163120.0°120.0°
C16C15C17H172134.8°121.2°
C16C15C17H17113.8°1.9°
N24C15C17S1813.4°0.0°
C15N24C19S1812.2°0.1°
C15N24C19C20178.2°180.0°
N24C15C16H16159.5°59.9°
N24C15C16H162179.6°60.2°
N24C15C16H16360.5°179.9°
N24C15C17H172106.2°118.5°
N24C15C17H171132.9°118.4°
C17S18C19N2420.4°0.0°
C17S18C19C20173.7°180.0°
S18C17H172H171121.5°123.0°
N24C19S18C20165.9°180.0°
N24C19C20C2133.8°0.1°
N24C19C20N22146.3°180.0°
S18C19C20C21162.6°180.0°
S18C19C20N2217.3°0.0°
C19S18C17H17298.6°118.5°
C19S18C17H171140.4°118.5°
C19C20C21N22179.9°180.0°
C19C20N22O23180.0°180.0°
C19C20C21H211180.0°90.0°
C19C20C21H21260.0°150.1°
C19C20C21H21360.0°30.1°
C21C20N22O230.1°0.0°
C20C21H211H212120.0°119.9°
C20C21H211H213120.0°120.0°
C20C21H212H213120.0°120.0°
C20N22O23H231180.0°179.9°
N22C20C21H2110.1°89.9°
N22C20C21H212120.1°30.0°
N22C20C21H213119.9°150.0°
H011C01C05H052142.7°0.1°
H011C01C05H0511.6°145.0°
H011C01C06H06121.9°149.4°
H011C01C06H062142.6°90.6°
H011C01C13H1321.7°145.0°
H011C01C13H131142.7°0.1°
H052C05C13H132141.1°145.0°
H052C05C13H1310.1°0.0°
H051C05C13H1320.0°0.0°
H051C05C13H131141.1°145.0°
H093C09C10H10149.5°65.0°
H093C09C10H102168.5°175.0°
H093C09N13H133169.3°145.0°
H101C10C11H112175.5°180.0°
H101C10C11H11165.2°60.0°
H102C10C11H11256.5°60.0°
H102C10C11H111175.9°180.0°
H112C11C12H12359.6°60.0°
H112C11C12H122179.7°180.0°
H112C11C12H12160.3°60.0°
H111C11C12H12359.7°60.0°
H111C11C12H12260.4°60.0°
H111C11C12H121179.6°180.0°
H123C12H122H121120.0°120.1°
H161C16H162H163120.0°120.0°
H211C21H212H213120.0°120.1°

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