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K97

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2doub1.22Å1.24Å
O19C2sing1.35Å1.32Å
C2C3sing1.47Å1.51Å
C3C8sing1.40Å1.40ÅAromatic
C3C4doub1.39Å1.41ÅAromatic
C8C7doub1.36Å1.41ÅAromatic
C4C5sing1.39Å1.41ÅAromatic
C7C6sing1.40Å1.41ÅAromatic
C5C6doub1.41Å1.40ÅAromatic
C5N18sing1.38Å1.36ÅAromatic
C6C9sing1.46Å1.42ÅAromatic
N18C17sing1.37Å1.36ÅAromatic
C9C10sing1.51Å1.53Å
C9C17doub1.34Å1.40ÅAromatic
C10N11sing1.47Å1.49Å
C16N11sing1.47Å1.50Å
C16C15sing1.53Å1.53Å
N11C12sing1.47Å1.49Å
C15O14sing1.43Å1.43Å
C12C13sing1.53Å1.52Å
O14C13sing1.43Å1.42Å
C4H1sing1.08Å1.08Å
C7H2sing1.08Å1.08Å
C8H3sing1.08Å1.08Å
C10H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C12H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C17H12sing1.08Å1.08Å
N18H13sing0.97Å1.00Å
O19H14sing0.97Å0.95Å
C12H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C2O19116.8°120.0°
O1C2C3125.3°120.0°
O19C2C3117.6°120.0°
C2O19H14109.5°117.0°
C2C3C8117.5°119.8°
C2C3C4122.8°119.8°
C8C3C4119.6°120.3°
C3C8C7121.9°120.3°
C3C8H3119.0°119.8°
C3C4C5118.2°119.7°
C3C4H1120.9°120.2°
C8C7C6118.9°120.0°
C8C7H2120.6°119.9°
C7C8H3119.0°119.8°
C4C5C6123.0°119.5°
C4C5N18130.5°133.3°
C5C4H1120.9°120.2°
C7C6C5118.4°120.1°
C7C6C9132.3°133.8°
C6C7H2120.6°120.1°
C6C5N18106.5°107.1°
C5C6C9109.2°106.0°
C5N18C17109.8°109.8°
C5N18H13125.1°125.1°
C6C9C10129.4°126.5°
C6C9C17104.0°107.0°
N18C17C9110.4°110.0°
N18C17H12124.8°125.0°
C17N18H13125.1°125.1°
C10C9C17126.5°126.5°
C9C10N11120.2°109.4°
C9C10H4106.7°109.5°
C9C10H5106.7°109.5°
C9C17H12124.8°125.0°
C10N11C16115.0°111.0°
C10N11C12112.6°111.0°
N11C10H4106.8°109.4°
N11C10H5106.7°109.5°
N11C16C15112.7°109.3°
C16N11C12118.0°110.7°
N11C16H10108.7°109.5°
N11C16H11108.7°109.5°
C16C15O14111.8°109.2°
C16C15H8108.9°109.5°
C16C15H9108.8°109.6°
C15C16H10108.6°109.5°
C15C16H11108.6°109.4°
N11C12C13115.8°109.2°
N11C12H6107.9°109.5°
N11C12H15107.9°109.5°
C15O14C13115.0°113.7°
O14C15H8108.9°109.5°
O14C15H9108.9°109.5°
C12C13O14115.4°109.3°
C13C12H6107.9°109.5°
C12C13H7108.0°109.5°
C13C12H15107.9°109.5°
C12C13H16108.0°109.5°
O14C13H7108.0°109.5°
O14C13H16107.9°109.5°
H4C10H5109.4°109.5°
H6C12H15109.5°109.6°
H7C13H16109.5°109.5°
H8C15H9109.5°109.5°
H10C16H11109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2O19C3174.4°179.7°
O1C2C3C80.8°179.9°
O1C2C3C4176.5°0.3°
O1C2O19H140.0°0.0°
O19C2C3C8174.7°0.3°
O19C2C3C42.6°179.5°
C2C3C8C4177.4°179.8°
C2C3C8C7178.8°179.7°
C2C3C4C5177.9°180.0°
C2C3C4H12.1°0.0°
C2C3C8H31.2°0.1°
C3C2O19H14174.4°179.7°
C3C8C7H3180.0°179.8°
C8C3C4C50.6°0.2°
C3C8C7C61.7°0.5°
C8C3C4H1179.4°179.8°
C3C8C7H2178.3°179.8°
C4C3C8C71.3°0.5°
C3C4C5H1180.0°180.0°
C3C4C5C60.3°0.0°
C3C4C5N18178.8°180.0°
C4C3C8H3178.6°179.7°
C8C7C6H2180.0°179.7°
C8C7C6C51.3°0.3°
C8C7C6C9179.9°179.8°
C4C5C6C70.6°0.1°
C4C5C6N18179.3°180.0°
C4C5C6C9179.5°180.0°
C4C5N18C17179.1°180.0°
C4C5N18H130.9°0.0°
C7C6C5C9178.9°179.9°
C7C6C5N18178.7°179.9°
C7C6C9C102.6°0.1°
C7C6C9C17178.3°179.9°
C6C7C8H3178.3°179.6°
C6C5N18C170.1°0.0°
C5C6C9C10178.7°180.0°
C5C6C9C170.4°0.1°
C6C5C4H1179.7°180.0°
C5C6C7H2178.7°180.0°
C6C5N18H13179.9°180.0°
N18C5C6C90.2°0.0°
C5N18C17H13180.0°180.0°
C5N18C17C90.4°0.1°
N18C5C4H11.2°0.0°
C5N18C17H12179.6°180.0°
C6C9C17N180.5°0.1°
C6C9C10C17179.0°179.9°
C6C9C10N11157.9°80.1°
C9C6C7H20.2°0.1°
C6C9C10H436.4°160.0°
C6C9C10H580.6°39.9°
C6C9C17H12179.5°180.0°
N18C17C9C10178.7°180.0°
N18C17C9H12180.0°180.0°
C9C10N11H4121.5°120.0°
C9C10N11H5121.5°120.0°
C9C10N11C1673.7°66.4°
C9C10N11C12147.2°170.0°
C9C10H4H5115.2°120.1°
C10C9C17H121.3°0.0°
C17C9C10N1123.1°100.0°
C17C9C10H4144.6°19.9°
C17C9C10H598.4°140.0°
C9C17N18H13179.6°180.0°
C10N11C16C12136.8°123.8°
C10N11C16C15145.0°177.6°
C10N11C12C13172.1°177.6°
N11C10H4H5115.2°120.0°
C10N11C12H667.0°57.7°
C10N11C16H1024.5°62.5°
C10N11C16H1194.6°57.7°
C10N11C12H1551.2°62.5°
N11C16C15H10120.5°120.0°
N11C16C15H11120.5°119.9°
N11C16C15O1438.5°56.9°
C16N11C12C1334.3°58.6°
C16N11C10H4164.7°173.6°
C16N11C10H547.8°53.6°
C16N11C12H6155.3°178.5°
N11C16C15H881.9°63.1°
N11C16C15H9158.9°176.8°
N11C16H10H11118.6°120.2°
C16N11C12H1586.6°61.3°
C15C16N11C128.2°58.6°
C16C15O14H8120.4°119.9°
C16C15O14H9120.3°120.0°
C16C15O14C1362.5°58.7°
C16C15H8H9118.9°120.2°
C15C16H10H11118.5°120.0°
N11C12C13H6120.9°119.9°
N11C12C13H15120.9°119.9°
N11C12C13O1413.1°56.9°
C12N11C10H425.7°50.0°
C12N11C10H591.3°70.0°
N11C12H6H15117.2°120.1°
N11C12C13H7107.8°63.1°
C12N11C16H10112.3°61.3°
C12N11C16H11128.7°178.5°
N11C12C13H16133.9°176.8°
C15O14C13C1235.2°58.7°
C15O14C13H7156.0°61.3°
O14C15H8H9118.9°120.1°
O14C15C16H10159.0°63.1°
O14C15C16H1182.0°176.8°
C15O14C13H1685.7°178.6°
C12C13O14H7120.9°120.0°
C12C13O14H16120.9°119.9°
C13C12H6H15117.1°120.1°
C12C13H7H16117.3°120.1°
O14C13C12H6134.0°176.8°
O14C13H7H16117.3°120.1°
C13O14C15H857.9°61.3°
C13O14C15H9177.2°178.6°
O14C13C12H15107.8°63.1°
H2C7C8H31.7°0.0°
H6C12C13H713.1°56.8°
H6C12C13H16105.2°63.3°
H7C13C12H15131.3°176.9°
H8C15C16H1038.6°177.0°
H8C15C16H11157.7°56.9°
H9C15C16H1080.7°56.8°
H9C15C16H1138.4°63.3°
H12C17N18H130.4°0.0°
H15C12C13H1613.0°56.8°

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