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86H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C25C26doub1.38Å1.39ÅAromatic
C25C24sing1.38Å1.40ÅAromatic
C26C27sing1.38Å1.39ÅAromatic
C24CL1sing1.74Å1.75Å
C24C23doub1.38Å1.38ÅAromatic
C27C22doub1.38Å1.39ÅAromatic
C23C22sing1.38Å1.41ÅAromatic
C23CL2sing1.74Å1.75Å
C22S19sing1.76Å1.75Å
O21S19doub1.42Å1.48Å
S19O20doub1.42Å1.51Å
S19N18sing1.66Å1.64Å
C16C17doub1.38Å1.40ÅAromatic
C16C15sing1.39Å1.38ÅAromatic
N18C15sing1.39Å1.32Å
C17C12sing1.40Å1.40ÅAromatic
C15C14doub1.39Å1.39ÅAromatic
N7C6doub1.32Å1.33ÅAromatic
N7N8sing1.40Å1.24ÅAromatic
N3C6sing1.34Å1.34ÅAromatic
N3C2doub1.31Å1.35ÅAromatic
C12C2sing1.48Å1.40Å
C12C13doub1.40Å1.38ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C6C5sing1.47Å1.38ÅAromatic
N8C9sing1.34Å1.33ÅAromatic
C2C1sing1.41Å1.40ÅAromatic
C5C9doub1.38Å1.32ÅAromatic
C5C4sing1.47Å1.39ÅAromatic
C1C4doub1.38Å1.40ÅAromatic
C4C10sing1.48Å1.55Å
C10O11doub1.22Å1.23Å
C10N30sing1.35Å1.34Å
N30C31sing1.47Å1.48Å
C32C31sing1.55Å1.54Å
C32N33sing1.48Å1.47Å
C31C35sing1.55Å1.54Å
C34N33sing1.48Å1.47Å
C34C35sing1.54Å1.52Å
C1H1sing1.08Å1.08Å
C35H2sing1.09Å1.10Å
C35H3sing1.09Å1.10Å
C34H4sing1.09Å1.10Å
C34H5sing1.09Å1.10Å
N33H6sing1.01Å1.00Å
C32H8sing1.09Å1.10Å
C32H9sing1.09Å1.10Å
C31H10sing1.09Å1.10Å
N30H11sing0.97Å1.00Å
C9H12sing1.08Å1.08Å
N8H13sing0.97Å1.00Å
C17H14sing1.08Å1.08Å
C16H15sing1.08Å1.08Å
C13H16sing1.08Å1.08Å
C14H17sing1.08Å1.08Å
N18H18sing0.97Å1.00Å
C27H19sing1.08Å1.08Å
C26H20sing1.08Å1.08Å
C25H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C26C25C24120.0°120.0°
C25C26C27120.4°120.0°
C25C26H20119.8°120.0°
C26C25H21120.0°120.0°
C25C24CL1124.1°120.0°
C25C24C23119.7°119.9°
C24C25H21120.0°120.0°
C26C27C22119.9°120.0°
C26C27H19120.1°120.0°
C27C26H20119.8°120.0°
CL1C24C23116.2°120.1°
C24C23C22120.4°120.0°
C24C23CL2114.6°120.0°
C27C22C23119.6°120.0°
C27C22S19122.4°120.0°
C22C27H19120.0°120.0°
C22C23CL2124.8°120.0°
C23C22S19118.0°120.0°
C22S19O2199.0°106.4°
C22S19O20114.7°106.4°
C22S19N18122.5°107.2°
O21S19O20101.9°123.2°
O21S19N18100.3°106.5°
O20S19N18113.3°106.4°
S19N18C15134.9°120.1°
S19N18H18102.8°120.0°
C17C16C15117.7°120.0°
C16C17C12122.1°120.0°
C16C17H14118.9°120.1°
C17C16H15121.1°120.0°
C16C15N18125.0°120.0°
C16C15C14119.7°120.1°
C15C16H15121.1°119.9°
N18C15C14115.1°119.9°
C15N18H18102.8°119.9°
C17C12C2121.5°120.1°
C17C12C13117.8°119.9°
C12C17H14118.9°120.0°
C15C14C13121.6°120.0°
C15C14H17119.2°120.0°
C6N7N8110.1°109.0°
N7C6N3132.9°134.4°
N7C6C5106.1°106.4°
N7N8C9110.2°109.9°
N7N8H13124.9°125.0°
C6N3C2122.0°122.2°
N3C6C5121.0°119.2°
N3C2C12119.3°118.4°
N3C2C1117.9°123.1°
C2C12C13119.6°120.0°
C12C2C1120.9°118.4°
C12C13C14120.1°120.0°
C12C13H16120.0°120.0°
C14C13H16120.0°120.0°
C13C14H17119.2°120.0°
C6C5C9105.7°106.8°
C6C5C4119.5°118.1°
N8C9C5107.7°107.9°
N8C9H12126.1°126.1°
C9N8H13124.9°125.0°
C2C1C4120.8°120.1°
C2C1H1119.6°120.0°
C9C5C4134.4°135.1°
C5C9H12126.1°126.0°
C5C4C1117.9°117.2°
C5C4C10120.2°121.4°
C1C4C10121.5°121.4°
C4C1H1119.6°119.9°
C4C10O11121.5°120.1°
C4C10N30115.0°120.0°
O11C10N30123.4°120.0°
C10N30C31122.5°120.0°
C10N30H11118.7°120.0°
N30C31C32109.7°110.7°
N30C31C35110.3°110.8°
N30C31H10111.0°110.7°
C31N30H11118.8°120.0°
C31C32N33104.4°103.3°
C32C31C35105.3°102.8°
C31C32H8110.7°110.7°
C31C32H9110.8°110.7°
C32C31H10110.2°110.7°
C32N33C34104.5°105.8°
C32N33H6110.7°111.0°
N33C32H8110.7°110.5°
N33C32H9110.7°110.8°
C31C35C34104.1°105.2°
C31C35H2110.8°110.3°
C31C35H3110.8°110.3°
C35C31H10110.1°110.7°
N33C34C35103.5°107.1°
N33C34H4110.9°109.9°
N33C34H5111.0°109.9°
C34N33H6110.7°111.0°
C34C35H2110.8°110.3°
C34C35H3110.8°110.4°
C35C34H4110.9°109.9°
C35C34H5110.9°110.0°
H2C35H3109.5°110.3°
H4C34H5109.5°110.1°
H8C32H9109.5°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C26C25C24H21180.0°180.0°
C25C26C27H20180.0°180.0°
C26C25C24CL1179.5°180.0°
C26C25C24C231.1°0.3°
C25C26C27C220.5°0.0°
C25C26C27H19179.5°180.0°
C24C25C26C270.7°0.0°
C25C24CL1C23178.5°179.7°
C25C24C23C223.1°0.5°
C25C24C23CL2178.8°180.0°
C24C25C26H20179.3°180.0°
C26C27C22H19180.0°180.0°
C26C27C22C231.4°0.2°
C26C27C22S19178.3°179.9°
C27C26C25H21179.3°179.9°
CL1C24C23C22178.3°179.7°
CL1C24C23CL22.7°0.3°
CL1C24C25H210.5°0.0°
C24C23C22C273.3°0.5°
C24C23C22CL2175.2°179.5°
C24C23C22S19176.4°179.8°
C23C24C25H21178.9°179.8°
C27C22C23S19179.7°179.7°
C27C22C23CL2178.5°180.0°
C27C22S19O2125.2°130.6°
C27C22S19O20132.8°2.3°
C27C22S19N1883.2°115.8°
C22C27C26H20179.4°180.0°
C23C22S19O21154.5°49.1°
C23C22S19O2046.9°178.0°
C23C22S19N1897.1°64.4°
C23C22C27H19178.6°179.7°
CL2C23C22S191.2°0.3°
C22S19O21O20117.7°122.9°
C22S19O21N18125.6°114.1°
C22S19O20N18147.4°114.1°
C22S19N18C153.2°61.2°
C22S19N18H18126.4°118.7°
S19C22C27H191.7°0.0°
O21S19O20N18106.8°123.0°
O21S19N18C15104.5°174.8°
O21S19N18H1818.7°5.2°
O20S19N18C15147.7°52.3°
O20S19N18H1889.1°127.8°
S19N18C15C160.3°133.7°
S19N18C15H18123.2°180.0°
S19N18C15C14175.8°46.0°
C17C16C15H15180.0°180.0°
C17C16C15N18166.9°180.0°
C16C17C12H14180.0°180.0°
C17C16C15C148.3°0.2°
C16C17C12C2178.0°180.0°
C16C17C12C139.7°0.2°
C16C15N18C14175.4°179.7°
C15C16C17C1211.1°0.0°
C16C15C14C134.7°0.2°
C15C16C17H14168.9°180.0°
C16C15C14H17175.3°179.7°
C16C15N18H18122.8°46.3°
N18C15C14C13171.0°180.0°
N18C15C16H1513.1°0.0°
N18C15C14H179.0°0.0°
C17C12C2N33.3°179.8°
C17C12C2C13168.1°179.7°
C17C12C13C145.5°0.2°
C17C12C2C1167.4°0.3°
C12C17C16H15168.9°180.0°
C17C12C13H16174.5°179.7°
C15C14C13C123.2°0.0°
C15C14C13H17180.0°180.0°
C14C15C16H15171.7°179.7°
C15C14C13H16176.8°180.0°
C14C15N18H1852.6°134.0°
N7C6N3C5179.8°179.9°
N7C6N3C2175.9°179.7°
C6N7N8C92.6°0.0°
N7C6C5C91.6°0.0°
N7C6C5C4175.6°180.0°
C6N7N8H13177.4°179.9°
N8N7C6N3179.3°180.0°
N8N7C6C50.6°0.0°
N7N8C9H13180.0°179.9°
N7N8C9C53.7°0.0°
N7N8C9H12176.3°180.0°
C6N3C2C12173.7°179.7°
C6N3C2C19.1°0.3°
N3C6C5C9178.5°180.0°
N3C6C5C44.5°0.1°
N3C2C12C1164.1°180.0°
N3C2C12C13164.8°0.0°
C2N3C6C53.9°0.2°
N3C2C1C46.1°0.0°
N3C2C1H1173.8°180.0°
C2C12C13C14174.1°180.0°
C12C2C1C4170.5°179.9°
C12C2C1H19.5°0.0°
C2C12C17H142.0°0.0°
C2C12C13H165.9°0.0°
C12C13C14H16180.0°180.0°
C13C12C2C10.7°180.0°
C13C12C17H14170.3°179.8°
C12C13C14H17176.8°180.0°
C6C5C9N83.1°0.0°
C6C5C9C4172.7°180.0°
C6C5C4C17.1°0.2°
C6C5C4C10179.8°180.0°
C6C5C9H12176.9°180.0°
N8C9C5H12180.0°180.0°
N8C9C5C4175.8°180.0°
C2C1C4C51.8°0.2°
C2C1C4H1180.0°180.0°
C2C1C4C10174.9°179.9°
C9C5C4C1179.0°179.8°
C9C5C4C107.9°0.1°
C5C9N8H13176.4°179.9°
C5C4C1C10173.1°179.7°
C5C4C10O115.9°0.0°
C5C4C10N30177.3°180.0°
C5C4C1H1178.2°179.8°
C4C5C9H124.2°0.0°
C1C4C10O11167.0°179.8°
C1C4C10N309.8°0.3°
C4C10O11N30176.6°180.0°
C4C10N30C31178.7°180.0°
C10C4C1H15.1°0.0°
C4C10N30H111.3°0.0°
O11C10N30C314.5°0.0°
O11C10N30H11175.5°180.0°
C10N30C31H11180.0°180.0°
C10N30C31C3282.0°86.5°
C10N30C31C35162.4°160.0°
C10N30C31H1040.1°36.8°
N30C31C32C35118.7°118.4°
N30C31C32H10122.6°123.2°
N30C31C32N33136.5°155.7°
N30C31C35H10122.9°123.3°
N30C31C35C34110.2°140.3°
N30C31C35H28.9°100.8°
N30C31C35H3130.6°21.2°
N30C31C32H8104.3°37.4°
N30C31C32H917.3°85.6°
C31C32N33H8119.2°118.4°
C31C32N33H9119.2°118.5°
C32C31C35H10118.8°118.3°
C31C32N33C3438.1°39.1°
C32C31C35C348.1°21.9°
C32C31C35H2127.2°140.8°
C32C31C35H3111.0°97.1°
C31C32N33H681.1°81.4°
C31C32H8H9122.4°123.1°
C32C31N30H1198.0°93.5°
N33C32C31C3517.8°37.3°
C32N33C34H6119.2°120.5°
C32N33C34C3543.6°25.3°
C32N33C34H4162.6°94.0°
C32N33C34H575.5°144.7°
N33C32H8H9122.4°123.1°
N33C32C31H10100.9°81.0°
C31C35C34N3331.1°1.2°
C31C35C34H2119.1°118.9°
C31C35C34H3119.1°119.0°
C31C35H2H3122.5°122.1°
C31C35C34H4150.1°118.1°
C31C35C34H588.0°120.6°
C35C31C32H8137.0°81.0°
C35C31C32H9101.4°155.9°
C35C31N30H1117.6°19.9°
N33C34C35H4119.0°119.3°
N33C34C35H5119.1°119.4°
N33C34C35H2150.2°117.7°
N33C34C35H388.0°120.2°
N33C34H4H5122.8°121.2°
C34N33C32H8157.3°79.3°
C34N33C32H981.1°157.7°
C34C35H2H3122.5°122.1°
C35C34H4H5122.8°121.2°
C35C34N33H675.6°95.3°
C34C35C31H10126.9°96.4°
H2C35C34H490.8°123.0°
H2C35C34H531.1°1.7°
H2C35C31H10114.0°22.5°
H3C35C34H431.0°0.9°
H3C35C34H5152.9°120.4°
H3C35C31H107.7°144.5°
H4C34N33H643.4°145.4°
H5C34N33H6165.3°24.2°
H6N33C32H838.1°160.2°
H6N33C32H9159.7°37.1°
H8C32C31H1018.3°160.7°
H9C32C31H10139.9°37.6°
H10C31N30H11140.0°143.2°
H12C9N8H133.7°0.1°
H14C17C16H1511.1°0.0°
H16C13C14H173.2°0.0°
H19C27C26H200.6°0.0°
H20C26C25H210.7°0.0°

225946

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