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S6C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C06C05sing1.53Å1.49Å
C06C07sing1.53Å1.53Å
C05C04sing1.53Å1.49Å
C07N08sing1.47Å1.50Å
C04C03sing1.53Å1.56Å
C04C18sing1.53Å1.53Å
C03C02sing1.51Å1.52Å
N08C18sing1.47Å1.49Å
N08C09sing1.38Å1.47Å
N17C09doub1.33Å1.33ÅAromatic
N17C16sing1.32Å1.33ÅAromatic
C09C10sing1.40Å1.41ÅAromatic
C02O01doub1.21Å1.26Å
C02O19sing1.34Å1.26Å
C16N15doub1.31Å1.31ÅAromatic
C10N11sing1.38Å1.35ÅAromatic
C10C14doub1.41Å1.39ÅAromatic
N15C14sing1.34Å1.34ÅAromatic
N11C12sing1.35Å1.32ÅAromatic
C14N13sing1.35Å1.34ÅAromatic
C12N13doub1.30Å1.33ÅAromatic
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C16H161sing1.08Å1.08Å
C12H121sing1.08Å1.08Å
C03H031sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C07H072sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
N11H111sing0.97Å1.00Å
O19H2sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C05C06C07111.9°109.3°
C06C05C04111.6°109.2°
C06C05H052108.9°109.5°
C06C05H051109.0°109.5°
C05C06H062108.9°109.4°
C05C06H061108.9°109.5°
C06C07N08113.1°109.6°
C07C06H062108.8°109.5°
C07C06H061108.9°109.5°
C06C07H072108.5°109.5°
C06C07H071108.6°109.5°
C05C04C03111.3°109.5°
C05C04C18112.0°109.3°
C05C04H041109.2°109.6°
C04C05H052108.9°109.5°
C04C05H051108.9°109.5°
C07N08C18118.3°111.2°
C07N08C09118.9°111.0°
N08C07H072108.5°109.5°
N08C07H071108.5°109.5°
C03C04C18107.6°109.5°
C04C03C02113.5°109.4°
C04C03H031108.4°109.5°
C04C03H032108.5°109.4°
C03C04H041108.2°109.5°
C04C18N08112.6°109.5°
C04C18H181108.7°109.5°
C04C18H182108.7°109.5°
C18C04H041108.6°109.5°
C03C02O01119.6°120.0°
C03C02O19120.2°120.0°
C02C03H031108.5°109.5°
C02C03H032108.5°109.5°
C18N08C09121.5°111.0°
N08C18H181108.7°109.4°
N08C18H182108.7°109.5°
N08C09N17118.0°120.7°
N08C09C10123.6°120.7°
C09N17C16121.8°121.1°
N17C09C10118.4°118.5°
N17C16N15121.8°122.5°
N17C16H161119.1°118.8°
C09C10N11135.7°135.3°
C09C10C14117.7°118.7°
O01C02O19120.2°120.0°
C02O19H2109.5°117.1°
C16N15C14120.5°120.6°
N15C16H161119.1°118.7°
N11C10C14106.6°106.1°
C10N11C12108.5°107.2°
C10N11H111125.8°126.3°
C10C14N15119.9°118.6°
C10C14N13106.7°106.9°
N15C14N13133.4°134.5°
N11C12N13109.7°110.1°
N11C12H121125.1°125.0°
C12N11H111125.7°126.5°
C14N13C12108.4°109.8°
N13C12H121125.1°124.9°
H181C18H182109.4°109.5°
H031C03H032109.4°109.5°
H052C05H051109.4°109.5°
H062C06H061109.5°109.5°
H072C07H071109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C05C06C07H062120.3°119.9°
C05C06C07H061120.4°120.0°
C06C05C04H052120.3°119.9°
C06C05C04H051120.4°119.9°
C05C06C07N0846.2°59.2°
C06C05C04C03179.0°62.3°
C06C05C04C1858.6°57.6°
C06C05C04H04161.7°177.6°
C06C05H052H051119.0°120.1°
C05C06H062H061118.9°120.1°
C05C06C07H07274.3°179.2°
C05C06C07H071166.8°60.9°
C07C06C05C0457.3°57.6°
C06C07N08H072120.5°120.1°
C06C07N08H071120.6°120.1°
C06C07N08C1838.7°61.7°
C06C07N08C09128.4°174.2°
C07C06C05H052177.6°177.6°
C07C06C05H05163.0°62.3°
C07C06H062H061118.9°120.1°
C06C07H072H071118.3°120.0°
C05C04C03C18123.0°119.8°
C05C04C03H041119.9°120.2°
C05C04C18H041120.6°120.0°
C05C04C03C02167.4°65.2°
C05C04C18N0848.5°59.2°
C05C04C18H181169.0°60.8°
C05C04C18H18272.0°179.2°
C05C04C03H03146.8°174.8°
C05C04C03H03272.0°54.8°
C04C05H052H051119.0°120.1°
C04C05C06H062177.6°62.3°
C04C05C06H06163.1°177.6°
C07N08C18C0439.6°61.7°
C07N08C18C09166.7°124.1°
C07N08C09N173.5°123.9°
C07N08C09C10176.1°56.1°
C07N08C18H181160.1°58.3°
C07N08C18H18280.9°178.2°
N08C07C06H062166.6°60.7°
N08C07C06H06174.1°179.2°
N08C07H072H071118.3°119.9°
C03C04C18H041116.8°120.0°
C04C03C02H031120.6°120.0°
C04C03C02H032120.6°120.0°
C03C04C18N08171.0°60.8°
C04C03C02O0172.4°0.0°
C04C03C02O19108.8°180.0°
C03C04C18H18168.5°179.2°
C03C04C18H18250.6°59.2°
C04C03H031H032118.2°120.0°
C03C04C05H05260.7°57.7°
C03C04C05H05158.7°177.8°
C18C04C03C0269.6°175.0°
C04C18N08H181120.5°120.0°
C04C18N08H182120.5°120.1°
C04C18N08C09127.1°174.2°
C04C18H181H182118.6°120.0°
C18C04C03H031169.8°55.0°
C18C04C03H03251.0°65.0°
C18C04C05H052178.9°177.6°
C18C04C05H05161.8°62.3°
C03C02O01O19178.8°179.9°
C02C03H031H032118.2°120.0°
C02C03C04H04147.5°55.0°
C03C02O19H2178.8°180.0°
C18N08C09N17163.2°0.2°
C18N08C09C1017.3°179.7°
N08C18H181H182118.6°120.0°
N08C18C04H04172.1°179.2°
C18N08C07H07281.8°178.2°
C18N08C07H071159.3°58.3°
N08C09N17C10179.6°179.9°
N08C09N17C16179.8°179.5°
N08C09C10N110.4°0.0°
N08C09C10C14179.9°179.2°
C09N08C18H1816.6°65.8°
C09N08C18H182112.4°54.2°
C09N08C07H072111.1°54.1°
C09N08C07H0717.8°65.8°
C09N17C16N150.4°0.1°
N17C09C10N11180.0°180.0°
N17C09C10C140.5°0.7°
C09N17C16H161179.6°179.8°
C16N17C09C100.2°0.5°
N17C16N15H161180.0°179.7°
N17C16N15C140.7°0.4°
C09C10N11C14179.5°179.3°
C09C10C14N150.3°0.5°
C09C10N11C12179.4°179.3°
C09C10C14N13179.9°179.5°
C09C10N11H1110.6°0.8°
O01C02C03H03148.2°120.0°
O01C02C03H032167.0°119.9°
O01C02O19H20.0°0.1°
O19C02C03H031130.6°60.0°
O19C02C03H03211.8°60.0°
C16N15C14C100.3°0.1°
C16N15C14N13179.4°180.0°
N11C10C14N15179.9°179.9°
C10N11C12H111180.0°179.9°
N11C10C14N130.3°0.0°
C10N11C12N130.5°0.0°
C10N11C12H121179.6°179.9°
C10C14N15N13179.7°179.9°
C14C10N11C120.1°0.0°
C10C14N13C120.6°0.0°
C14C10N11H111179.9°179.9°
N15C14N13C12179.7°179.9°
C14N15C16H161179.3°179.9°
N11C12N13C140.7°0.0°
N11C12N13H121180.0°179.9°
C14N13C12H121179.4°179.9°
N13C12N11H111179.5°179.9°
H181C18C04H04148.4°59.2°
H182C18C04H041167.4°60.8°
H121C12N11H1110.5°0.0°
H031C03C04H04173.1°65.0°
H032C03C04H041168.1°175.0°
H041C04C05H05258.6°62.5°
H041C04C05H051178.0°57.6°
H052C05C06H06262.0°57.6°
H052C05C06H06157.3°62.4°
H051C05C06H06257.3°177.8°
H051C05C06H061176.6°57.7°
H062C06C07H07246.0°59.3°
H062C06C07H07172.9°179.2°
H061C06C07H072165.3°60.8°
H061C06C07H07146.4°59.1°

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