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4WS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O21C21sing1.43Å1.41Å
N22C28sing1.47Å1.43Å
N22C29sing1.35Å1.45Å
C28C27sing1.53Å1.53Å
C21C27sing1.54Å1.52Å
C21C22sing1.55Å1.51Å
C27N21sing1.47Å1.45Å
C30C29sing1.51Å1.50Å
C29O25doub1.21Å1.38Å
C22O22sing1.43Å1.41Å
C22C23sing1.55Å1.52Å
N21C23sing1.49Å1.53Å
N21C26sing1.48Å1.49Å
C23C24sing1.54Å1.50Å
C26C25sing1.55Å1.54Å
O24C24sing1.43Å1.42Å
C24C25sing1.55Å1.53Å
C30H3sing1.09Å1.10Å
C30H4sing1.09Å1.10Å
C30H5sing1.09Å1.10Å
N22H6sing0.97Å1.00Å
C28H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C27H10sing1.09Å1.10Å
C26H12sing1.09Å1.10Å
C26H13sing1.09Å1.10Å
C25H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
O22H18sing0.97Å0.95Å
C23H19sing1.09Å1.10Å
C24H20sing1.09Å1.10Å
O24H21sing0.97Å0.95Å
O21H2sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O21C21C27109.1°110.7°
O21C21C22116.4°110.7°
O21C21H16111.1°110.8°
C21O21H2109.5°114.0°
C28N22C29118.4°120.0°
N22C28C27114.1°109.5°
C28N22H6120.8°120.0°
N22C28H8108.3°109.5°
N22C28H9108.3°109.5°
N22C29C30111.3°120.0°
N22C29O25114.9°120.0°
C29N22H6120.8°120.0°
C28C27C21119.5°109.8°
C28C27N21115.7°109.8°
C27C28H8108.3°109.5°
C27C28H9108.3°109.4°
C28C27H10105.5°109.9°
C27C21C22100.4°103.0°
C21C27N21103.0°107.4°
C21C27H10105.7°110.0°
C27C21H16109.5°110.8°
C21C22O22116.8°111.0°
C21C22C2398.2°101.7°
C22C21H16109.7°110.7°
C21C22H17110.6°111.0°
C27N21C23105.2°108.3°
C27N21C26112.4°109.4°
N21C27H10106.5°109.8°
C30C29O25114.1°120.0°
C29C30H3109.5°109.5°
C29C30H4109.5°109.5°
C29C30H5109.4°109.5°
O22C22C23107.9°111.0°
O22C22H17112.1°110.9°
C22O22H18109.5°114.0°
C22C23N21105.7°104.8°
C22C23C24116.2°109.2°
C23C22H17110.4°111.0°
C22C23H19107.6°111.5°
C23N21C26106.7°105.9°
N21C23C24111.4°107.3°
N21C23H19107.6°111.6°
N21C26C25104.6°103.7°
N21C26H12110.7°110.6°
N21C26H13110.7°110.6°
C23C24O24114.1°110.3°
C23C24C25102.6°105.2°
C24C23H19107.9°112.1°
C23C24H20111.0°110.3°
C26C25C24110.7°102.9°
C25C26H12110.7°110.6°
C25C26H13110.7°110.6°
C26C25H14109.2°110.7°
C26C25H15109.1°110.7°
O24C24C25105.6°110.3°
O24C24H20112.2°110.3°
C24O24H21109.5°114.1°
C24C25H14109.2°110.7°
C24C25H15109.2°110.9°
C25C24H20110.6°110.3°
H3C30H4109.5°109.5°
H3C30H5109.5°109.5°
H4C30H5109.5°109.4°
H8C28H9109.5°109.5°
H12C26H13109.5°110.6°
H14C25H15109.5°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O21C21C27C2858.4°99.9°
O21C21C27C22122.8°118.3°
O21C21C27H16121.8°123.3°
O21C21C22H16127.2°123.2°
O21C21C27N21171.6°140.7°
O21C21C22O2277.9°87.8°
O21C21C22C23167.3°154.1°
O21C21C27H1060.1°21.1°
O21C21C22H1751.9°35.9°
C28N22C29H6180.0°180.0°
N22C28C27H8120.7°120.1°
N22C28C27H9120.7°120.0°
N22C28C27C2142.7°172.9°
N22C28C27N2181.3°55.0°
C28N22C29C30150.4°179.7°
C28N22C29O2518.8°0.0°
N22C28H8H9117.9°120.0°
N22C28C27H10161.3°65.9°
C29N22C28C2755.7°180.0°
N22C29C30O25132.0°179.7°
N22C29C30H3132.0°179.7°
N22C29C30H412.0°59.7°
N22C29C30H5108.0°60.3°
C29N22C28H8176.4°60.0°
C29N22C28H965.0°60.0°
C28C27C21N21129.9°119.4°
C28C27C21H10118.5°121.0°
C28C27C21C22178.8°141.8°
C28C27N21H10116.8°121.0°
C28C27N21C23158.5°118.5°
C28C27N21C2685.8°126.5°
C27C28N22H6124.3°0.0°
C27C28H8H9117.9°119.9°
C28C27C21H1663.4°23.4°
C27C21C22H16115.3°118.4°
C21C27N21H10110.9°119.6°
C27C21C22O22164.6°153.8°
C27C21C22C2349.8°35.8°
C21C27N21C2326.3°1.0°
C21C27N21C26142.0°114.0°
C21C27C28H878.0°52.9°
C21C27C28H9163.3°67.1°
C27C21C22H1765.6°82.4°
C27C21O21H2180.0°180.0°
C22C21C27N2148.9°22.3°
C21C22O22C23109.3°112.3°
C21C22O22H17129.0°123.9°
C21C22C23H17115.6°118.2°
C21C22C23N2134.2°37.2°
C21C22C23C24158.3°151.9°
C22C21C27H1062.7°97.2°
C21C22O22H18180.0°61.5°
C21C22C23H1980.6°83.7°
C22C21O21H267.3°66.4°
C27N21C23C225.2°24.1°
C27N21C23C26119.6°117.3°
C27N21C23C24132.3°140.2°
C27N21C26C25133.8°154.0°
N21C27C28H8157.9°65.1°
N21C27C28H939.3°175.0°
C27N21C26H1214.6°35.5°
C27N21C26H13107.0°87.4°
N21C27C21H1666.5°96.1°
C27N21C23H19109.6°96.7°
C29C30H3H4120.0°120.0°
C29C30H3H5120.0°120.0°
C29C30H4H5120.0°120.0°
C30C29N22H629.6°0.3°
O25C29C30H30.0°0.0°
O25C29C30H4120.0°120.0°
O25C29C30H5120.0°120.0°
O25C29N22H6161.2°180.0°
O22C22C23H17122.8°123.8°
O22C22C23N21155.9°155.2°
O22C22C23C2480.0°90.1°
O22C22C21H1649.3°35.4°
O22C22C23H1941.1°34.4°
C22C23N21C24127.1°116.0°
C22C23N21H19114.8°120.8°
C22C23N21C26114.4°93.2°
C22C23C24H19121.0°124.1°
C22C23C24O246.9°4.9°
C22C23C24C25120.7°114.0°
C23C22C21H1665.5°82.6°
C23C22O22H1870.7°173.8°
C22C23C24H20121.1°127.0°
N21C23C24H19117.9°122.8°
C23N21C26C2519.0°37.6°
N21C23C24O24114.2°118.0°
N21C23C24C250.5°1.0°
C23N21C27H1084.7°120.6°
C23N21C26H12100.2°81.0°
C23N21C26H13138.2°156.1°
N21C23C22H1781.4°81.0°
N21C23C24H20117.7°119.9°
C26N21C23C2412.7°22.9°
N21C26C25H12119.2°118.6°
N21C26C25H13119.2°118.5°
N21C26C25C2419.8°37.2°
C26N21C27H1031.1°5.6°
N21C26H12H13122.3°122.9°
N21C26C25H14140.0°155.6°
N21C26C25H15100.4°81.3°
C26N21C23H19130.8°146.0°
C23C24C25C2611.8°23.1°
C23C24O24C25111.9°115.8°
C23C24O24H20127.4°122.1°
C23C24C25H20118.5°118.9°
C23C24C25H14132.0°141.4°
C23C24C25H15108.4°95.3°
C24C23C22H1742.8°33.7°
C23C24O24H21180.0°180.0°
C26C25C24O24108.0°95.9°
C26C25C24H14120.2°118.3°
C26C25C24H15120.2°118.4°
C25C26H12H13122.3°122.8°
C26C25H14H15119.4°123.2°
C26C25C24H20130.3°142.0°
O24C24C25H20121.7°122.1°
O24C24C25H1412.2°22.5°
O24C24C25H15131.8°145.7°
O24C24C23H19127.9°119.2°
C24C25C26H1299.4°81.4°
C24C25C26H13139.0°155.8°
C24C25H14H15119.4°123.4°
C25C24C23H19118.4°121.8°
C25C24O24H2168.1°64.2°
H3C30H4H5120.0°120.0°
H6N22C28H83.6°120.1°
H6N22C28H9115.0°119.9°
H8C28C27H1040.6°174.0°
H9C28C27H1078.0°54.0°
H10C27C21H16178.0°144.4°
H12C26C25H1420.8°37.0°
H12C26C25H15140.4°160.1°
H13C26C25H14100.8°85.9°
H13C26C25H1518.8°37.3°
H14C25C24H20109.5°99.6°
H15C25C24H2010.1°23.6°
H16C21C22H17179.1°159.2°
H16C21O21H259.1°56.7°
H17C22O22H1851.0°62.3°
H17C22C23H19163.9°158.1°
H19C23C24H200.2°2.9°
H20C24O24H2152.6°57.9°

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