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XRM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C16sing1.55Å1.56Å
C15C14sing1.55Å1.54Å
C16C12sing1.54Å1.54Å
C14C13sing1.54Å1.55Å
C12N11sing1.47Å1.46Å
C12C13sing1.54Å1.52Å
N11C1sing1.39Å1.40Å
C2C1doub1.39Å1.40ÅAromatic
C2C3sing1.38Å1.37ÅAromatic
C1C6sing1.39Å1.40ÅAromatic
F25C3sing1.35Å1.34Å
C3C4doub1.40Å1.41ÅAromatic
C6C5doub1.39Å1.38ÅAromatic
C4C5sing1.42Å1.41ÅAromatic
C4C7sing1.47Å1.47Å
C5N10sing1.36Å1.35Å
O26C7doub1.22Å1.24Å
C7N8sing1.35Å1.37Å
N10C9doub1.30Å1.28Å
N8C9sing1.36Å1.37Å
C9C17sing1.51Å1.51Å
C17S18sing1.81Å1.84Å
S18C19sing1.81Å1.83Å
C19C20sing1.53Å1.54Å
C19C24sing1.53Å1.53Å
C20C21sing1.53Å1.53Å
C24C23sing1.53Å1.53Å
C21N22sing1.47Å1.47Å
C23N22sing1.47Å1.47Å
C6H1sing1.08Å1.08Å
C13H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C20H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C21H10sing1.09Å1.10Å
C21H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
C2H14sing1.08Å1.08Å
N8H15sing0.97Å1.00Å
N11H16sing0.97Å1.00Å
C12H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
N22H23sing1.01Å1.00Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C15C14104.0°102.7°
C15C16C12107.2°104.2°
C16C15H4110.9°110.7°
C16C15H5110.8°110.8°
C15C16H20110.0°110.5°
C15C16H21110.0°110.5°
C15C14C13106.9°104.2°
C14C15H4110.8°110.8°
C14C15H5110.8°110.7°
C15C14H18110.1°110.5°
C15C14H19110.1°110.5°
C16C12N11110.3°110.0°
C16C12C13103.3°106.6°
C16C12H17111.1°110.1°
C12C16H20110.0°110.4°
C12C16H21110.0°110.5°
C14C13C12103.3°106.6°
C14C13H2111.0°110.0°
C14C13H3111.0°110.0°
C13C14H18110.1°110.4°
C13C14H19110.1°110.5°
N11C12C13108.1°110.0°
C12N11C1123.1°120.0°
C12N11H16106.0°120.0°
N11C12H17112.3°110.0°
C12C13H2111.0°110.0°
C12C13H3111.0°110.1°
C13C12H17111.4°110.1°
N11C1C2117.5°119.7°
N11C1C6122.3°119.6°
C1N11H16106.0°120.0°
C1C2C3120.3°120.4°
C2C1C6120.1°120.7°
C1C2H14119.8°119.7°
C2C3F25118.2°120.2°
C2C3C4120.4°119.6°
C3C2H14119.9°119.8°
C1C6C5120.1°119.7°
C1C6H1120.0°120.1°
F25C3C4121.4°120.2°
C3C4C5119.2°120.2°
C3C4C7123.1°121.8°
C6C5C4119.9°119.4°
C6C5N10119.7°121.6°
C5C6H1119.9°120.1°
C5C4C7117.6°118.0°
C4C5N10120.4°119.0°
C4C7O26121.8°121.3°
C4C7N8115.7°117.4°
C5N10C9121.6°121.5°
O26C7N8122.4°121.3°
C7N8C9122.4°120.7°
C7N8H15118.8°119.6°
N10C9N8122.1°123.4°
N10C9C17115.9°118.3°
N8C9C17122.0°118.3°
C9N8H15118.8°119.7°
C9C17S18109.0°109.5°
C9C17H6109.6°109.5°
C9C17H7109.6°109.5°
C17S18C19112.6°103.0°
S18C17H6109.6°109.5°
S18C17H7109.6°109.5°
S18C19C20115.0°109.5°
S18C19C24109.6°109.5°
S18C19H22106.3°109.5°
C20C19C24106.9°109.2°
C19C20C21106.2°109.3°
C19C20H8110.3°109.5°
C19C20H9110.3°109.6°
C20C19H22109.4°109.5°
C19C24C23105.1°109.3°
C19C24H12110.6°109.5°
C19C24H13110.6°109.6°
C24C19H22109.6°109.6°
C20C21N22108.7°109.5°
C21C20H8110.3°109.4°
C21C20H9110.3°109.5°
C20C21H10109.7°109.4°
C20C21H11109.7°109.5°
C24C23N22109.5°109.6°
C23C24H12110.5°109.5°
C23C24H13110.6°109.5°
C24C23H25109.4°109.5°
C24C23H26109.5°109.5°
C21N22C23117.2°111.2°
N22C21H10109.7°109.4°
N22C21H11109.7°109.5°
C21N22H23107.5°111.0°
C23N22H23107.5°111.0°
N22C23H25109.5°109.5°
N22C23H26109.4°109.5°
H2C13H3109.5°110.0°
H4C15H5109.5°110.9°
H6C17H7109.4°109.4°
H8C20H9109.5°109.5°
H10C21H11109.5°109.5°
H12C24H13109.5°109.5°
H18C14H19109.5°110.5°
H20C16H21109.5°110.6°
H25C23H26109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C15C14H4119.2°118.3°
C16C15C14H5119.1°118.3°
C15C16C12H20119.7°118.7°
C15C16C12H21119.6°118.7°
C16C15C14C1313.3°37.9°
C15C16C12N11147.2°95.7°
C15C16C12C1331.9°23.6°
C16C15H4H5122.6°123.4°
C15C16C12H1787.6°143.0°
C16C15C14H18132.9°80.7°
C16C15C14H19106.3°156.6°
C15C16H20H21121.0°122.7°
C14C15C16C1211.3°37.9°
C15C14C13H18119.6°118.7°
C15C14C13H19119.6°118.7°
C15C14C13C1233.2°23.6°
C15C14C13H285.8°142.9°
C15C14C13H3152.2°95.7°
C14C15H4H5122.5°123.3°
C15C14H18H19121.2°122.7°
C14C15C16H20130.9°80.7°
C14C15C16H21108.4°156.6°
C16C12C13C1439.4°0.0°
C16C12N11C13112.2°117.2°
C16C12N11H17124.5°121.4°
C16C12C13H17119.3°119.4°
C16C12N11C1156.0°87.8°
C16C12C13H279.6°119.3°
C16C12C13H3158.4°119.3°
C12C16C15H4130.4°156.2°
C12C16C15H5107.9°80.3°
C16C12N11H1634.1°92.1°
C12C16H20H21121.0°122.6°
C14C13C12N11156.2°119.3°
C14C13C12H2119.0°119.3°
C14C13C12H3119.0°119.3°
C14C13H2H3122.9°121.3°
C13C14C15H4105.9°156.2°
C13C14C15H5132.4°80.4°
C14C13C12H1779.9°119.4°
C13C14H18H19121.2°122.6°
N11C12C13H17123.8°121.4°
C12N11C1H16121.9°180.0°
C12N11C1C2179.5°0.1°
C12N11C1C60.1°180.0°
N11C12C13H237.2°121.5°
N11C12C13H384.8°0.0°
N11C12C16H2093.1°145.6°
N11C12C16H2127.6°23.0°
C13C12N11C191.8°155.0°
C12C13H2H3122.9°121.5°
C13C12N11H16146.3°25.0°
C12C13C14H18152.8°95.1°
C12C13C14H1986.4°142.3°
C13C12C16H20151.5°95.1°
C13C12C16H2187.7°142.3°
N11C1C2C6179.6°179.9°
N11C1C2C3179.6°179.8°
N11C1C6C5179.2°180.0°
N11C1C6H10.8°0.0°
N11C1C2H140.4°0.0°
C1N11C12H1731.5°33.6°
C1C2C3H14180.0°179.8°
C1C2C3F25179.6°180.0°
C1C2C3C40.8°0.3°
C2C1C6C50.3°0.1°
C2C1C6H1179.6°179.9°
C2C1N11H1657.6°180.0°
C3C2C1C60.8°0.1°
C2C3F25C4179.5°179.6°
C2C3C4C50.2°0.3°
C2C3C4C7177.7°179.8°
C1C6C5H1180.0°180.0°
C1C6C5C41.4°0.0°
C1C6C5N10178.8°179.9°
C6C1C2H14179.2°180.0°
C6C1N11H16122.0°0.0°
F25C3C4C5179.3°180.0°
F25C3C4C71.8°0.2°
F25C3C2H140.4°0.2°
C3C4C5C61.3°0.2°
C3C4C5C7177.7°179.8°
C3C4C5N10178.8°179.7°
C3C4C7O262.1°0.2°
C3C4C7N8178.6°179.8°
C4C3C2H14179.2°179.8°
C6C5C4N10177.4°179.9°
C6C5C4C7179.0°180.0°
C6C5N10C9179.8°180.0°
C5C4C7O26175.4°180.0°
C5C4C7N81.0°0.1°
C4C5N10C92.8°0.1°
C4C5C6H1178.6°179.9°
C7C4C5N103.6°0.1°
C4C7O26N8176.2°179.9°
C4C7N8C92.4°0.0°
C4C7N8H15177.6°179.9°
C5N10C9N80.7°0.0°
C5N10C9C17178.3°180.0°
N10C5C6H11.1°0.0°
O26C7N8C9178.8°179.9°
O26C7N8H151.2°0.0°
C7N8C9N103.4°0.0°
C7N8C9H15180.0°179.9°
C7N8C9C17175.5°180.0°
N10C9N8C17179.0°180.0°
N10C9C17S1862.0°0.0°
N10C9C17H658.0°120.0°
N10C9C17H7178.1°120.0°
N10C9N8H15176.6°180.0°
N8C9C17S18117.1°180.0°
N8C9C17H6123.0°60.0°
N8C9C17H72.9°60.0°
C9C17S18H6119.9°120.1°
C9C17S18H7119.9°120.0°
C9C17S18C19171.0°180.0°
C9C17H6H7120.2°120.0°
C17C9N8H154.5°0.0°
C17S18C19C2021.7°175.0°
C17S18C19C24142.1°65.3°
S18C17H6H7120.2°119.9°
C17S18C19H2299.5°54.9°
S18C19C20C24121.9°119.9°
S18C19C20H22119.5°120.2°
S18C19C24H22116.3°120.2°
S18C19C20C21168.3°177.5°
S18C19C24C23165.4°177.6°
C19S18C17H669.0°60.0°
C19S18C17H751.1°59.9°
S18C19C20H848.8°57.7°
S18C19C20H972.3°62.5°
S18C19C24H1275.3°57.6°
S18C19C24H1346.1°62.5°
C20C19C24H22118.5°119.9°
C19C20C21H8119.5°119.9°
C19C20C21H9119.5°120.0°
C20C19C24C2369.4°57.7°
C19C20C21N2258.2°59.1°
C19C20H8H9121.6°120.2°
C19C20C21H1061.7°60.8°
C19C20C21H11178.1°179.2°
C20C19C24H1249.9°62.3°
C20C19C24H13171.3°177.6°
C24C19C20C2169.8°57.6°
C19C24C23H12119.3°120.0°
C19C24C23H13119.3°120.0°
C19C24C23N2258.9°59.2°
C24C19C20H8170.7°62.2°
C24C19C20H949.7°177.6°
C19C24H12H13122.0°120.1°
C19C24C23H25178.9°179.2°
C19C24C23H2661.1°60.8°
C20C21N22H10119.9°120.0°
C20C21N22H11119.9°120.0°
C20C21N22C2352.8°61.7°
C21C20H8H9121.5°120.0°
C20C21H10H11120.3°120.0°
C21C20C19H2248.8°62.3°
C20C21N22H23173.9°174.2°
C24C23N22C2153.4°61.7°
C24C23N22H25120.0°120.0°
C24C23N22H26120.0°120.0°
C23C24H12H13122.0°120.0°
C23C24C19H2249.1°62.3°
C24C23N22H23174.6°174.2°
C24C23H25H26120.0°120.0°
C21N22C23H23121.1°124.1°
N22C21C20H8177.7°60.8°
N22C21C20H961.3°179.2°
N22C21H10H11120.4°120.0°
C21N22C23H25173.4°178.2°
C21N22C23H2666.5°58.3°
C23N22C21H1067.1°58.3°
C23N22C21H11172.6°178.3°
N22C23C24H1260.4°60.8°
N22C23C24H13178.2°179.2°
N22C23H25H26120.0°119.9°
H2C13C12H17161.1°0.1°
H2C13C14H1833.8°24.2°
H2C13C14H19154.6°98.4°
H3C13C12H1739.1°121.3°
H3C13C14H1888.2°145.6°
H3C13C14H1932.6°23.0°
H4C15C14H1813.7°37.6°
H4C15C14H19134.6°85.1°
H4C15C16H20109.9°37.6°
H4C15C16H2110.8°85.1°
H5C15C14H18108.0°161.0°
H5C15C14H1912.9°38.3°
H5C15C16H2011.8°161.1°
H5C15C16H21132.5°38.3°
H8C20C21H1057.8°179.3°
H8C20C21H1162.4°59.2°
H8C20C19H2270.7°177.8°
H9C20C21H10178.8°59.2°
H9C20C21H1158.6°60.8°
H9C20C19H22168.2°57.6°
H10C21N22H2354.0°65.8°
H11C21N22H2366.2°54.2°
H12C24C19H22168.4°177.8°
H12C24C23H2559.6°59.3°
H12C24C23H26179.6°179.2°
H13C24C19H2270.2°57.7°
H13C24C23H2561.8°60.8°
H13C24C23H2658.3°59.2°
H16N11C12H1790.4°146.4°
H17C12C16H2032.0°24.3°
H17C12C16H21152.7°98.3°
H23N22C23H2565.5°54.1°
H23N22C23H2654.6°65.8°

224931

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