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1NB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C7C8sing1.53Å1.54Å
C7C27sing1.53Å1.53Å
C7C30sing1.51Å1.52Å
C7H7sing1.09Å1.12Å
C8C9sing1.55Å1.52Å
C8C29sing1.54Å1.57Å
C8H8sing1.09Å1.11Å
C9C26sing1.55Å1.53Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.12Å
C17C27sing1.51Å1.52Å
C17C19doub1.31Å1.34Å
C17H17sing1.08Å1.10Å
O5C30doub1.21Å1.20Å
O4C29sing1.43Å1.44Å
O4HO4sing0.97Å0.95Å
C26C28sing1.54Å1.52Å
C26H261sing1.09Å1.11Å
C26H262sing1.09Å1.12Å
C29C28sing1.54Å1.53Å
C29H29sing1.09Å1.12Å
C27H271sing1.09Å1.12Å
C27H272sing1.09Å1.11Å
C28H281sing1.09Å1.11Å
C28H282sing1.09Å1.12Å
C19H191sing1.08Å1.10Å
C19H192sing1.08Å1.10Å
C30H30sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C7C27115.6°109.5°
C8C7C30110.4°109.5°
C8C7H7104.8°109.4°
C7C8C9113.0°110.5°
C7C8C29115.7°110.7°
C7C8H8101.1°110.4°
C27C7C30110.6°109.5°
C27C7H7104.6°109.4°
C7C27C17113.0°109.5°
C7C27H271110.9°109.4°
C7C27H272110.9°109.4°
C30C7H7110.5°109.4°
C7C30O5117.2°120.1°
C7C30H30132.1°120.0°
C9C8C29105.1°104.2°
C9C8H8112.5°110.5°
C8C9C26103.3°102.7°
C8C9H91114.6°110.7°
C8C9H92114.6°110.8°
C29C8H8109.6°110.5°
C8C29O4113.7°110.1°
C8C29C28106.5°106.7°
C8C29H29108.1°110.0°
C26C9H91114.6°110.8°
C26C9H92114.5°110.7°
C9C26C28104.4°104.2°
C9C26H261114.1°110.4°
C9C26H262114.1°110.5°
H91C9H9295.9°110.8°
C27C17C19122.6°120.0°
C27C17H17125.3°120.0°
C17C27H271110.9°109.4°
C17C27H272110.9°109.5°
C19C17H17112.1°120.0°
C17C19H191112.2°120.0°
C17C19H192122.6°120.0°
O5C30H30110.7°120.0°
C29O4HO4113.7°106.9°
O4C29C28107.7°110.0°
O4C29H29106.9°110.0°
C28C26H261114.1°110.5°
C28C26H262114.1°110.5°
C26C28C29104.7°106.6°
C26C28H281114.0°110.0°
C26C28H282114.0°110.1°
H261C26H26296.4°110.5°
C28C29H29114.0°110.1°
C29C28H281114.0°110.0°
C29C28H282114.0°110.1°
H271C27H27299.4°109.5°
H281C28H28296.5°110.1°
H191C19H192125.2°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C7C27C30126.3°120.1°
C8C7C27H7114.7°120.0°
C8C7C30H7115.5°120.0°
C7C8C9C29127.0°118.9°
C7C8C9H8113.8°122.4°
C7C8C29H8113.5°122.6°
C7C8C9C26157.6°156.8°
C7C8C9H9177.2°38.5°
C7C8C9H9232.3°84.9°
C8C7C27C17171.1°180.0°
C8C7C30O5140.0°120.0°
C7C8C29O4106.4°98.4°
C7C8C29C28135.1°142.3°
C7C8C29H2912.1°23.0°
C8C7C27H27145.9°60.0°
C8C7C27H27263.6°60.0°
C8C7C30H3040.0°60.0°
C27C7C30H7115.3°120.0°
C27C7C8C959.8°61.4°
C27C7C8C29179.0°176.3°
C27C7C8H860.7°61.1°
C7C27C17H271125.2°119.9°
C7C27C17H272125.3°120.0°
C7C27C17C19133.7°120.1°
C7C27C17H1746.3°60.0°
C27C7C30O590.8°120.0°
C7C27H271H272116.8°120.0°
C27C7C30H3089.1°60.0°
C30C7C8C9173.8°178.5°
C30C7C8C2952.6°63.7°
C30C7C8H865.7°59.0°
C30C7C27C1762.6°60.0°
C7C30O5H30180.0°180.0°
C30C7C27H271172.2°179.9°
C30C7C27H27262.7°60.0°
H7C7C8C954.8°58.6°
H7C7C8C2966.4°56.3°
H7C7C8H8175.3°178.9°
H7C7C27C1756.4°60.0°
H7C7C30O524.5°0.0°
H7C7C27H27168.8°60.0°
H7C7C27H272178.3°180.0°
H7C7C30H30155.5°180.0°
C9C8C29H8121.1°118.7°
C8C9C26H91125.3°118.3°
C8C9C26H92125.3°118.3°
C8C9H91H92120.5°123.4°
C9C8C29O4128.2°142.9°
C8C9C26C2840.7°37.9°
C8C9C26H26184.6°156.6°
C8C9C26H262165.9°80.8°
C9C8C29C289.7°23.6°
C9C8C29H29113.2°95.8°
C29C8C9C2630.5°37.9°
C29C8C9H91155.8°80.4°
C29C8C9H9294.7°156.2°
C8C29O4C28117.8°117.2°
C8C29O4H29119.2°121.4°
C8C29O4HO4180.0°179.4°
C8C29C28C2615.1°0.0°
C8C29C28H29119.1°119.3°
C8C29C28H281140.4°119.2°
C8C29C28H282110.1°119.3°
H8C8C9C2688.7°80.7°
H8C8C9H9136.6°160.9°
H8C8C9H92146.1°37.5°
H8C8C29O47.1°24.2°
H8C8C29C28111.4°95.1°
H8C8C29H29125.6°145.6°
C26C9H91H92120.4°123.3°
C9C26C28H261125.3°118.6°
C9C26C28H262125.2°118.7°
C9C26H261H262120.0°122.6°
C9C26C28C2934.4°23.6°
C9C26C28H281159.7°95.6°
C9C26C28H28290.8°142.9°
H91C9C26C28166.0°80.4°
H91C9C26H26140.7°38.3°
H91C9C26H26268.8°160.9°
H92C9C26C2884.6°156.2°
H92C9C26H261150.1°85.1°
H92C9C26H26240.6°37.5°
C27C17C19H17179.9°179.9°
C17C27H271H272116.7°120.1°
C27C17C19H1910.0°180.0°
C27C17C19H192179.9°0.1°
C19C17C27H2718.4°0.1°
C19C17C27H272101.0°120.0°
C17C19H191H192179.9°179.9°
H17C17C27H271171.5°180.0°
H17C17C27H27279.0°59.9°
H17C17C19H191179.9°0.1°
H17C17C19H1920.0°180.0°
O4C29C28C26107.2°119.3°
O4C29C28H29118.5°121.3°
O4C29C28H28118.0°121.4°
O4C29C28H282127.5°0.0°
HO4O4C29C2862.2°62.1°
HO4O4C29H2960.8°59.3°
C28C26H261H262120.0°122.7°
C26C28C29H281125.3°119.2°
C26C28C29H282125.2°119.3°
C26C28C29H29134.2°119.3°
C26C28H281H282119.9°121.5°
H261C26C28C2990.9°142.2°
H261C26C28H28134.4°23.0°
H261C26C28H282143.9°98.5°
H262C26C28C29159.6°95.1°
H262C26C28H28175.1°145.7°
H262C26C28H28234.4°24.2°
C29C28H281H282119.9°121.4°
H29C29C28H281100.5°0.1°
H29C29C28H2829.0°121.3°

246704

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