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9TK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C84N82sing1.33Å1.38ÅAromatic
C84C83doub1.36Å1.37ÅAromatic
N82C82doub1.32Å1.33ÅAromatic
C83N81sing1.35Å1.37ÅAromatic
C82N81sing1.37Å1.40ÅAromatic
C82C81sing1.47Å1.51Å
N81C88sing1.46Å1.47Å
C81O81doub1.22Å1.23Å
C83H84sing1.08Å1.08Å
C88H883sing1.09Å1.10Å
C88H882sing1.09Å1.10Å
C88H881sing1.09Å1.10Å
C84H83sing1.08Å1.08Å
C81O1sing1.35Å1.87Å
O1H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N82C84C83111.0°108.4°
C84N82C82105.0°109.1°
N82C84H83124.5°125.8°
C84C83N81106.6°107.2°
C84C83H84126.7°126.4°
C83C84H83124.5°125.9°
N82C82N81111.3°108.2°
N82C82C81127.1°125.9°
C83N81C82106.0°107.1°
C83N81C88123.7°126.5°
N81C83H84126.7°126.4°
N81C82C81121.5°125.9°
C82N81C88130.3°126.4°
C82C81O81124.0°120.0°
C82C81O1135.8°120.0°
N81C88H883109.5°109.5°
N81C88H882109.5°109.5°
N81C88H881109.4°109.5°
O81C81O1100.2°120.0°
H883C88H882109.5°109.5°
H883C88H881109.5°109.4°
H882C88H881109.5°109.5°
C81O1H1109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N82C84C83H83180.0°179.5°
N82C84C83N811.3°0.5°
C84N82C82N812.0°0.3°
C84N82C82C81176.2°179.7°
N82C84C83H84178.7°179.8°
C83C84N82C820.4°0.5°
C84C83N81H84180.0°179.7°
C84C83N81C822.4°0.3°
C84C83N81C88177.0°179.7°
N82C82N81C832.8°0.0°
N82C82N81C81178.2°180.0°
N82C82N81C88176.6°180.0°
N82C82C81O81179.5°180.0°
C82N82C84H83179.6°180.0°
N82C82C81O10.9°0.3°
C83N81C82C88179.4°180.0°
C83N81C82C81175.5°180.0°
C83N81C88H883180.0°90.0°
C83N81C88H88260.0°150.0°
C83N81C88H88160.0°30.0°
N81C83C84H83178.7°180.0°
N81C82C81O812.6°0.0°
C82N81C83H84177.6°180.0°
C82N81C88H8830.8°90.1°
C82N81C88H882120.7°29.9°
C82N81C88H881119.3°150.0°
N81C82C81O1177.1°179.7°
C81C82N81C885.2°0.0°
C82C81O81O1179.8°179.7°
C82C81O1H1179.7°179.8°
C88N81C83H842.9°0.1°
N81C88H883H882120.0°120.0°
N81C88H883H881120.0°120.0°
N81C88H882H881120.0°120.0°
O81C81O1H10.0°0.1°
H84C83C84H831.3°0.4°
H883C88H882H881120.0°120.0°

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