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IXO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C03N02sing1.47Å1.44Å
N02C01sing1.47Å1.46Å
N02C04sing1.47Å1.52Å
N02C05sing1.47Å1.43Å
C05C06sing1.47Å1.49Å
C06C07trip1.17Å1.28Å
C07C08sing1.47Å1.56Å
C08O09sing1.43Å1.44Å
N11O12sing1.41Å1.37Å
N11C10doub1.28Å1.41Å
O09C10sing1.35Å1.37Å
O12C13sing1.44Å1.43Å
C10C14sing1.52Å1.40Å
C13C14sing1.55Å1.45Å
C01H101sing1.09Å1.10Å
C01H201sing1.09Å1.10Å
C01H301sing1.09Å1.10Å
C03H103sing1.09Å1.10Å
C03H203sing1.09Å1.10Å
C03H303sing1.09Å1.10Å
C04H104sing1.09Å1.10Å
C04H204sing1.09Å1.10Å
C04H304sing1.09Å1.10Å
C05H105sing1.09Å1.10Å
C05H205sing1.09Å1.10Å
C08H108sing1.09Å1.10Å
C08H208sing1.09Å1.10Å
C13H113sing1.09Å1.10Å
C13H213sing1.09Å1.10Å
C14H114sing1.09Å1.10Å
C14H214sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C03N02C01108.8°109.5°
C03N02C04109.4°109.5°
C03N02C05111.1°109.5°
N02C03H103109.5°109.5°
N02C03H203109.5°109.5°
N02C03H303109.4°109.5°
C01N02C04111.0°109.5°
C01N02C05108.4°109.5°
N02C01H101109.5°109.5°
N02C01H201109.5°109.5°
N02C01H301109.5°109.5°
C04N02C05108.2°109.5°
N02C04H104109.5°109.4°
N02C04H204109.5°109.4°
N02C04H304109.5°109.5°
N02C05C06117.8°109.5°
N02C05H105107.4°109.5°
N02C05H205107.4°109.5°
C05C06C07177.9°180.0°
C06C05H105107.3°109.4°
C06C05H205107.3°109.4°
C06C07C08175.3°180.0°
C07C08O09117.1°109.5°
C07C08H108107.6°109.4°
C07C08H208107.5°109.5°
C08O09C10120.4°117.0°
O09C08H108107.5°109.5°
O09C08H208107.6°109.5°
O12N11C10107.8°113.1°
N11O12C13107.7°107.6°
N11C10O09124.7°125.7°
N11C10C14110.1°108.5°
O09C10C14125.2°125.8°
O12C13C14106.2°101.6°
O12C13H113110.3°111.0°
O12C13H213110.3°111.0°
C10C14C13104.5°102.5°
C10C14H114110.7°110.8°
C10C14H214110.7°110.8°
C14C13H113110.3°111.1°
C14C13H213110.3°110.8°
C13C14H114110.7°110.8°
C13C14H214110.7°110.7°
H101C01H201109.5°109.5°
H101C01H301109.5°109.5°
H201C01H301109.4°109.5°
H103C03H203109.4°109.4°
H103C03H303109.5°109.5°
H203C03H303109.5°109.5°
H104C04H204109.4°109.5°
H104C04H304109.5°109.5°
H204C04H304109.5°109.6°
H105C05H205109.5°109.5°
H108C08H208109.5°109.5°
H113C13H213109.5°110.9°
H114C14H214109.5°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C03N02C01C04120.4°120.0°
C03N02C01C05120.9°120.0°
C03N02C04C05121.1°120.0°
C03N02C05C0667.2°60.0°
C03N02C01H101180.0°60.0°
C03N02C01H20160.0°60.0°
C03N02C01H30160.0°180.0°
N02C03H103H203120.0°120.0°
N02C03H103H303120.0°120.0°
N02C03H203H303120.0°120.1°
C03N02C04H104180.0°180.0°
C03N02C04H20460.0°60.0°
C03N02C04H30460.0°60.1°
C03N02C05H10554.0°60.0°
C03N02C05H205171.6°180.0°
C01N02C04C05118.8°120.0°
C01N02C05C06173.3°60.0°
N02C01H101H201120.0°120.0°
N02C01H101H301120.0°120.0°
N02C01H201H301120.0°120.0°
C01N02C03H103180.0°60.0°
C01N02C03H20360.0°180.0°
C01N02C03H30360.0°60.0°
C01N02C04H10459.9°60.0°
C01N02C04H20460.0°180.0°
C01N02C04H304179.9°60.0°
C01N02C05H10565.5°180.0°
C01N02C05H20552.2°59.9°
C04N02C05C0652.9°180.0°
C04N02C01H10159.6°60.0°
C04N02C01H201179.6°180.0°
C04N02C01H30160.4°60.0°
C04N02C03H10358.6°60.0°
C04N02C03H20361.4°60.0°
C04N02C03H303178.6°180.0°
N02C04H104H204120.0°119.9°
N02C04H104H304120.0°120.0°
N02C04H204H304120.0°120.0°
C04N02C05H105174.1°60.0°
C04N02C05H20568.3°60.0°
N02C05C06H105121.2°120.0°
N02C05C06H205121.2°120.0°
N02C05C06C07144.4°13.8°
C05N02C01H10159.1°180.0°
C05N02C01H20160.9°60.0°
C05N02C01H301179.1°60.0°
C05N02C03H10360.8°180.0°
C05N02C03H203179.3°60.0°
C05N02C03H30359.2°60.0°
C05N02C04H10458.9°60.0°
C05N02C04H204178.9°60.0°
C05N02C04H30461.1°179.9°
N02C05H105H205116.3°120.1°
C05C06C07C0883.5°NaN°
C06C05H105H205116.2°119.9°
C06C07C08O09165.1°13.9°
C07C06C05H10523.2°133.9°
C07C06C05H20594.4°106.2°
C06C07C08H10844.0°133.8°
C06C07C08H20873.8°106.2°
C07C08O09H108121.1°120.0°
C07C08O09H208121.1°120.0°
C07C08O09C1046.6°180.0°
C07C08H108H208116.5°120.0°
C08O09C10N1124.1°0.2°
C08O09C10C14156.5°180.0°
O09C08H108H208116.6°120.0°
O12N11C10O09179.6°179.7°
O12N11C10C140.2°0.5°
N11O12C13C1419.2°24.9°
N11O12C13H113138.6°143.2°
N11O12C13H213100.3°92.9°
N11C10O09C14179.4°179.8°
C10N11O12C1312.1°17.3°
N11C10C14C1311.5°15.0°
N11C10C14H114130.7°133.3°
N11C10C14H214107.7°103.2°
O09C10C14C13167.9°164.8°
C10O09C08H10874.5°60.1°
C10O09C08H208167.7°60.0°
O09C10C14H11448.7°46.5°
O09C10C14H21472.9°77.0°
O12C13C14C1018.4°23.7°
O12C13C14H113119.5°118.1°
O12C13C14H213119.5°118.0°
O12C13H113H213121.5°123.9°
O12C13C14H114137.7°141.9°
O12C13C14H214100.8°94.6°
C10C14C13H114119.2°118.3°
C10C14C13H214119.2°118.3°
C10C14C13H113137.9°141.8°
C10C14C13H213101.1°94.4°
C10C14H114H214122.3°123.5°
C14C13H113H213121.5°123.7°
C13C14H114H214122.3°123.3°
H101C01H201H301120.0°120.0°
H103C03H203H303120.0°120.0°
H104C04H204H304120.0°120.0°
H113C13C14H114102.8°99.9°
H113C13C14H21418.7°23.5°
H213C13C14H11418.2°23.9°
H213C13C14H214139.7°147.4°

223532

PDB entries from 2024-08-07

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