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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26N27sing1.47Å1.55Å
C26C25sing1.55Å1.58Å
N27C28sing1.34Å1.35Å
C25C24sing1.55Å1.31Å
C28C24sing1.51Å1.61Å
C28O29doub1.21Å1.21Å
C24C23sing1.53Å1.60Å
O22C21doub1.21Å1.16Å
C23C20sing1.53Å1.52Å
O01C02doub1.21Å1.20Å
C20C21sing1.51Å1.51Å
C20N19sing1.47Å1.46Å
C16C17doub1.38Å1.38ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C17C12sing1.40Å1.42ÅAromatic
C15C14doub1.38Å1.40ÅAromatic
C02N19sing1.35Å1.49Å
C02C03sing1.51Å1.55Å
C12C11sing1.47Å1.59Å
C12C13doub1.40Å1.36ÅAromatic
C14C13sing1.38Å1.40ÅAromatic
C10C11doub1.35Å1.31Å
C10C09sing1.46Å1.55Å
C09O18doub1.22Å1.23Å
C09N08sing1.35Å1.47Å
N08C03sing1.47Å1.43Å
C03C04sing1.53Å1.55Å
C04C05sing1.53Å1.54Å
C05C06sing1.53Å1.53Å
C05C07sing1.53Å1.54Å
C10H1sing1.08Å1.08Å
C13H3sing1.08Å1.08Å
C15H4sing1.08Å1.08Å
C17H5sing1.08Å1.08Å
C20H6sing1.09Å1.10Å
C21H7sing1.08Å1.08Å
C24H8sing1.09Å1.10Å
C26H9sing1.09Å1.10Å
C26H10sing1.09Å1.10Å
C03H11sing1.09Å1.10Å
C04H12sing1.09Å1.10Å
C04H13sing1.09Å1.10Å
C05H14sing1.09Å1.10Å
C06H15sing1.09Å1.10Å
C06H16sing1.09Å1.10Å
C06H17sing1.09Å1.10Å
C07H18sing1.09Å1.10Å
C07H19sing1.09Å1.10Å
C07H20sing1.09Å1.10Å
C11H21sing1.08Å1.08Å
C14H23sing1.08Å1.08Å
C16H24sing1.08Å1.08Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C25H27sing1.09Å1.10Å
C25H28sing1.09Å1.10Å
N08H29sing0.97Å1.00Å
N19H30sing0.97Å1.00Å
N27H31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N27C26C25103.9°105.4°
C26N27C28106.1°111.3°
N27C26H9110.8°110.3°
N27C26H10110.9°110.3°
C26N27H31127.0°124.3°
C26C25C24104.9°101.8°
C25C26H9110.8°110.2°
C25C26H10110.8°110.2°
C26C25H27110.6°110.9°
C26C25H28110.6°110.9°
N27C28C24108.4°110.1°
N27C28O29127.1°125.0°
C28N27H31126.9°124.4°
C25C24C28106.8°104.2°
C25C24C23111.3°110.3°
C25C24H8113.6°110.7°
C24C25H27110.6°111.0°
C24C25H28110.6°111.0°
C24C28O29124.6°124.9°
C28C24C23107.0°110.5°
C28C24H8108.9°110.5°
C24C23C20114.2°109.5°
C23C24H8109.0°110.5°
C24C23H25108.3°109.5°
C24C23H26108.3°109.4°
O22C21C20119.8°120.0°
O22C21H7120.1°120.0°
C23C20C21108.9°109.5°
C23C20N19110.1°109.5°
C23C20H6110.3°109.4°
C20C23H25108.3°109.5°
C20C23H26108.3°109.4°
O01C02N19120.4°120.0°
O01C02C03121.4°120.0°
C21C20N19106.0°109.5°
C21C20H6110.3°109.5°
C20C21H7120.1°120.0°
C20N19C02121.1°120.0°
N19C20H6111.1°109.4°
C20N19H30119.5°120.0°
C17C16C15119.2°120.2°
C16C17C12119.5°119.8°
C16C17H5120.2°120.1°
C17C16H24120.4°119.9°
C16C15C14121.2°120.3°
C16C15H4119.4°119.8°
C15C16H24120.4°119.9°
C17C12C11119.4°120.2°
C17C12C13121.1°119.7°
C12C17H5120.2°120.1°
C15C14C13119.8°120.2°
C14C15H4119.4°119.9°
C15C14H23120.1°119.9°
N19C02C03118.1°120.0°
C02N19H30119.5°120.0°
C02C03N08109.5°109.5°
C02C03C04107.9°109.5°
C02C03H11109.5°109.5°
C11C12C13119.6°120.2°
C12C11C10112.5°120.0°
C12C11H21123.8°120.1°
C12C13C14119.2°119.8°
C12C13H3120.4°120.1°
C14C13H3120.4°120.1°
C13C14H23120.1°119.9°
C11C10C09111.9°120.0°
C11C10H1124.0°120.0°
C10C11H21123.7°119.9°
C10C09O18120.7°120.0°
C10C09N08118.3°120.0°
C09C10H1124.1°120.0°
O18C09N08121.0°120.0°
C09N08C03119.2°120.0°
C09N08H29120.4°120.0°
N08C03C04109.2°109.4°
N08C03H11111.3°109.5°
C03N08H29120.4°120.0°
C03C04C05112.7°109.4°
C04C03H11109.5°109.5°
C03C04H12108.7°109.5°
C03C04H13108.7°109.4°
C04C05C06111.1°109.5°
C04C05C07111.3°109.5°
C05C04H12108.6°109.5°
C05C04H13108.6°109.5°
C04C05H14107.8°109.5°
C06C05C07111.0°109.4°
C06C05H14107.8°109.5°
C05C06H15109.5°109.5°
C05C06H16109.5°109.5°
C05C06H17109.5°109.4°
C07C05H14107.7°109.5°
C05C07H18109.5°109.4°
C05C07H19109.5°109.4°
C05C07H20109.5°109.5°
H9C26H10109.5°110.3°
H12C04H13109.5°109.5°
H15C06H16109.5°109.5°
H15C06H17109.4°109.5°
H16C06H17109.5°109.5°
H18C07H19109.5°109.5°
H18C07H20109.5°109.5°
H19C07H20109.4°109.5°
H25C23H26109.5°109.5°
H27C25H28109.5°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N27C26C25H9119.1°119.0°
N27C26C25H10119.1°119.0°
C26N27C28H31180.0°179.9°
N27C26C25C2430.8°25.4°
C26N27C28C240.3°0.4°
C26N27C28O29179.8°179.9°
N27C26H9H10122.6°122.1°
N27C26C25H27150.1°143.6°
N27C26C25H2888.4°92.7°
C25C26N27C2817.2°17.0°
C26C25C24H27119.2°118.1°
C26C25C24H28119.3°118.1°
C26C25C24C2830.3°24.8°
C26C25C24C23146.7°143.4°
C26C25C24H889.8°94.0°
C25C26H9H10122.6°121.9°
C26C25H27H28122.1°123.7°
C25C26N27H31162.8°163.0°
N27C28C24C2520.6°16.2°
N27C28C24O29179.5°179.7°
N27C28C24C23140.0°134.7°
N27C28C24H8102.4°102.7°
C28N27C26H9101.9°136.0°
C28N27C26H10136.3°101.9°
C25C24C28C23119.3°118.4°
C25C24C28H8123.0°118.9°
C25C24C28O29158.9°163.4°
C25C24C23H8126.1°122.7°
C25C24C23C2064.3°70.6°
C24C25C26H988.3°144.4°
C24C25C26H10150.0°93.6°
C25C24C23H2556.3°49.5°
C25C24C23H26175.0°169.4°
C24C25H27H28122.1°123.9°
C28C24C23H8117.6°122.6°
C28C24C23C20179.3°174.8°
C28C24C23H2560.0°65.2°
C28C24C23H2658.6°54.8°
C28C24C25H27149.5°142.9°
C28C24C25H2889.0°93.3°
C24C28N27H31179.7°179.6°
O29C28C24C2339.5°45.0°
O29C28C24H878.1°77.6°
O29C28N27H310.2°0.0°
C24C23C20H25120.7°120.0°
C24C23C20H26120.7°120.0°
C24C23C20C21167.4°176.2°
C24C23C20N1976.7°63.7°
C24C23C20H646.2°56.2°
C24C23H25H26117.9°119.9°
C23C24C25H2794.0°98.5°
C23C24C25H2827.5°25.3°
O22C21C20C23120.7°120.0°
O22C21C20H7180.0°179.9°
O22C21C20N19120.9°0.1°
O22C21C20H60.5°120.0°
C23C20C21N19118.5°120.1°
C23C20C21H6121.2°120.0°
C23C20N19H6122.5°119.9°
C23C20N19C02105.3°157.9°
C23C20C21H759.4°59.9°
C20C23C24H861.7°52.1°
C20C23H25H26117.9°120.0°
C23C20N19H3074.7°22.2°
O01C02N19C200.2°4.8°
O01C02N19C03179.2°179.9°
O01C02C03N0829.0°19.5°
O01C02C03C0489.7°100.4°
O01C02C03H11151.2°139.6°
O01C02N19H30179.8°175.2°
C21C20N19H6119.9°120.0°
C21C20N19C02137.0°82.1°
C21C20C23H2546.7°56.2°
C21C20C23H2671.9°63.8°
C21C20N19H3043.0°97.9°
C20N19C02H30180.0°180.0°
C20N19C02C03179.4°175.1°
N19C20C21H759.1°180.0°
N19C20C23H25162.6°176.2°
N19C20C23H2643.9°56.2°
C17C16C15H24180.0°179.4°
C16C17C12H5180.0°179.5°
C17C16C15C140.3°0.3°
C16C17C12C11179.6°179.7°
C16C17C12C130.4°0.5°
C17C16C15H4179.7°179.8°
C15C16C17C120.0°0.6°
C16C15C14H4180.0°179.9°
C16C15C14C130.2°0.0°
C15C16C17H5180.0°180.0°
C16C15C14H23179.8°180.0°
C17C12C11C13179.2°179.8°
C17C12C13C140.5°0.3°
C17C12C11C10152.6°0.3°
C17C12C13H3179.5°179.8°
C17C12C11H2127.4°179.8°
C12C17C16H24180.0°180.0°
C15C14C13C120.2°0.0°
C15C14C13H23180.0°180.0°
C15C14C13H3179.9°180.0°
C14C15C16H24179.7°179.7°
N19C02C03N08151.8°160.4°
N19C02C03C0489.5°79.6°
C02N19C20H617.1°37.9°
N19C02C03H1129.6°40.3°
C02C03N08C0969.2°151.4°
C02C03N08C04117.9°120.0°
C02C03N08H11121.1°120.1°
C02C03C04H11119.1°120.0°
C02C03C04C05176.8°65.5°
C02C03C04H1262.7°174.4°
C02C03C04H1356.3°54.4°
C02C03N08H29110.8°28.5°
C03C02N19H300.5°4.9°
C11C12C13C14179.6°180.0°
C12C11C10H21180.0°180.0°
C12C11C10C09179.3°180.0°
C12C11C10H10.7°0.1°
C11C12C13H30.4°0.0°
C11C12C17H50.4°0.2°
C12C13C14H3180.0°180.0°
C13C12C11C1026.6°180.0°
C13C12C17H5179.6°180.0°
C13C12C11H21153.4°0.0°
C12C13C14H23179.8°180.0°
C13C14C15H4179.8°179.9°
C11C10C09H1180.0°179.9°
C11C10C09O1810.3°0.0°
C11C10C09N08171.0°179.7°
C10C09O18N08178.7°179.7°
C10C09N08C03179.3°174.7°
C09C10C11H210.7°0.1°
C10C09N08H290.7°5.2°
O18C09N08C030.7°5.0°
O18C09C10H1169.7°179.9°
O18C09N08H29179.4°175.0°
C09N08C03H29180.0°179.9°
C09N08C03C04172.9°88.6°
N08C09C10H19.0°0.2°
C09N08C03H1151.9°31.3°
N08C03C04H11122.0°120.0°
N08C03C04C0564.3°174.5°
N08C03C04H1256.2°54.4°
N08C03C04H13175.2°65.6°
C03C04C05H12120.5°120.0°
C03C04C05H13120.5°119.9°
C03C04C05C06164.8°67.0°
C03C04C05C0771.1°173.0°
C03C04H12H13118.5°120.0°
C03C04C05H1446.9°53.0°
C04C03N08H297.1°91.5°
C04C05C06C07124.3°120.0°
C04C05C06H14117.9°120.1°
C04C05C07H14117.9°120.1°
C05C04C03H1157.7°54.5°
C05C04H12H13118.5°120.0°
C04C05C06H15180.0°64.0°
C04C05C06H1660.0°176.0°
C04C05C06H1760.0°55.9°
C04C05C07H18180.0°60.0°
C04C05C07H1960.0°180.0°
C04C05C07H2060.0°59.9°
C06C05C07H14117.9°120.0°
C06C05C04H1244.3°53.0°
C06C05C04H1374.7°173.1°
C05C06H15H16120.0°120.0°
C05C06H15H17120.0°119.9°
C05C06H16H17120.0°120.0°
C06C05C07H1855.8°180.0°
C06C05C07H1964.2°60.0°
C06C05C07H20175.8°60.0°
C07C05C04H12168.4°66.9°
C07C05C04H1349.4°53.1°
C07C05C06H1555.7°55.9°
C07C05C06H16175.7°64.1°
C07C05C06H1764.3°175.9°
C05C07H18H19120.0°120.0°
C05C07H18H20120.0°120.0°
C05C07H19H20119.9°120.0°
H1C10C11H21179.3°180.0°
H3C13C14H230.1°0.0°
H4C15C14H230.2°0.1°
H4C15C16H240.3°0.4°
H5C17C16H240.0°0.6°
H6C20C21H7179.5°60.1°
H6C20C23H2574.5°63.9°
H6C20C23H26166.9°176.1°
H6C20N19H30162.8°142.1°
H8C24C23H25177.6°172.2°
H8C24C23H2659.0°67.8°
H8C24C25H2729.5°24.1°
H8C24C25H28150.9°147.9°
H9C26C25H2731.0°97.4°
H9C26C25H28152.5°26.3°
H9C26N27H3178.1°44.0°
H10C26C25H2790.8°24.6°
H10C26C25H2830.7°148.2°
H10C26N27H3143.7°78.0°
H11C03C04H12178.2°65.5°
H11C03C04H1362.7°174.4°
H11C03N08H29128.0°148.6°
H12C04C05H1473.6°173.0°
H13C04C05H14167.4°66.9°
H14C05C06H1562.1°175.9°
H14C05C06H1657.9°55.9°
H14C05C06H17177.9°64.1°
H14C05C07H1862.0°60.0°
H14C05C07H19177.9°60.0°
H14C05C07H2058.0°180.0°
H15C06H16H17120.0°120.0°
H18C07H19H20120.0°120.1°

222926

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