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D19

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C9sing1.53Å1.52Å
C10C8sing1.53Å1.52Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.11Å
C9C8sing1.53Å1.52Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
C8N2sing1.47Å1.33Å
C8H8sing1.09Å1.11Å
N2C7sing1.47Å1.33Å
N2HN2sing1.01Å1.02Å
C7N1sing1.47Å1.32Å
C7C4sing1.51Å1.46Å
C7H7sing1.09Å1.11Å
N1HN11sing1.01Å1.02Å
N1HN12sing1.01Å1.02Å
C1C2sing1.40Å1.40ÅAromatic
C1C6doub1.40Å1.42ÅAromatic
C1CAsing1.48Å1.45ÅAromatic
C2C3doub1.38Å1.40ÅAromatic
C2H2sing1.08Å1.10Å
C3C4sing1.38Å1.39ÅAromatic
C3H3sing1.08Å1.10Å
C4C5doub1.38Å1.41ÅAromatic
C5C6sing1.38Å1.42ÅAromatic
C5H5sing1.08Å1.10Å
C6H6sing1.08Å1.10Å
CACBdoub1.36Å1.37ÅAromatic
CAO1sing1.35Å1.41ÅAromatic
CBCB'sing1.40Å1.46ÅAromatic
CBHBsing1.08Å1.10Å
CB'CA'doub1.36Å1.36ÅAromatic
CB'HB'sing1.08Å1.10Å
CA'O1sing1.35Å1.41ÅAromatic
CA'C1'sing1.48Å1.41ÅAromatic
C1'C2'sing1.40Å1.39ÅAromatic
C1'C6'doub1.40Å1.38ÅAromatic
C2'C3'doub1.38Å1.39ÅAromatic
C2'H2'sing1.08Å1.10Å
C3'C4'sing1.38Å1.39ÅAromatic
C3'H3'sing1.08Å1.10Å
C4'C5'doub1.38Å1.43ÅAromatic
C4'C7'sing1.51Å1.50Å
C5'C6'sing1.38Å1.41ÅAromatic
C5'H5'sing1.08Å1.10Å
C6'H6'sing1.08Å1.10Å
C7'N1'sing1.47Å1.35Å
C7'N2'sing1.47Å1.36Å
C7'H7'sing1.09Å1.11Å
N1'HN'1sing1.01Å1.02Å
N1'HN'2sing1.01Å1.02Å
N2'C8'sing1.47Å1.35Å
N2'HN2'sing1.01Å1.02Å
C8'C9'sing1.53Å1.51Å
C8'CAXsing1.53Å1.53Å
C8'H8'sing1.09Å1.11Å
C9'CAXsing1.53Å1.55Å
C9'H9'1sing1.09Å1.12Å
C9'H9'2sing1.09Å1.12Å
CAXH1'1sing1.09Å1.11Å
CAXH1'2sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C10C860.1°60.0°
C9C10H101134.9°117.4°
C9C10H102134.9°117.6°
C10C9C859.9°60.0°
C10C9H91135.1°117.5°
C10C9H92135.1°117.5°
C8C10H101134.9°117.5°
C8C10H102134.9°117.5°
C10C8C960.0°60.0°
C10C8N2121.3°117.6°
C10C8H8129.3°117.5°
H101C10H10270.6°115.5°
C8C9H91135.1°117.4°
C8C9H92135.0°117.6°
C9C8N2106.2°117.6°
C9C8H8141.9°117.4°
H91C9H9270.4°115.6°
N2C8H897.5°115.5°
C8N2C7123.2°106.8°
C8N2HN2107.3°106.6°
C7N2HN2107.3°106.7°
N2C7N1121.5°109.5°
N2C7C4119.1°109.5°
N2C7H784.8°109.4°
N1C7C4119.1°109.5°
N1C7H784.4°109.5°
C7N1HN11121.6°106.7°
C7N1HN12107.9°106.7°
C4C7H7106.6°109.5°
C7C4C3120.3°119.8°
C7C4C5119.5°119.8°
HN11N1HN12107.9°106.7°
C2C1C6119.3°119.7°
C2C1CA119.3°120.1°
C1C2C3119.9°119.9°
C1C2H2120.0°120.1°
C6C1CA121.3°120.2°
C1C6C5120.3°119.9°
C1C6H6119.9°120.1°
C1CACB131.7°125.8°
C1CAO1118.4°125.8°
C3C2H2120.1°120.0°
C2C3C4121.2°120.1°
C2C3H3119.8°119.9°
C4C3H3119.0°120.0°
C3C4C5119.8°120.3°
C4C5C6119.4°120.1°
C4C5H5120.0°119.9°
C6C5H5120.6°120.0°
C5C6H6119.8°120.1°
CBCAO1109.9°108.4°
CACBCB'107.9°106.9°
CACBHB123.5°126.6°
CAO1CA'105.1°109.4°
CB'CBHB128.6°126.5°
CBCB'CA'105.1°107.0°
CBCB'HB'130.0°126.4°
CA'CB'HB'124.9°126.6°
CB'CA'O1111.9°108.4°
CB'CA'C1'131.8°125.8°
O1CA'C1'116.3°125.8°
CA'C1'C2'115.2°120.2°
CA'C1'C6'123.1°120.2°
C2'C1'C6'121.6°119.6°
C1'C2'C3'122.0°119.9°
C1'C2'H2'118.9°120.0°
C1'C6'C5'116.3°119.9°
C1'C6'H6'121.1°120.0°
C3'C2'H2'119.2°120.1°
C2'C3'C4'118.7°120.2°
C2'C3'H3'120.9°119.9°
C4'C3'H3'120.4°119.8°
C3'C4'C5'118.5°120.2°
C3'C4'C7'118.5°119.9°
C5'C4'C7'122.9°119.9°
C4'C5'C6'122.9°120.2°
C4'C5'H5'119.3°119.9°
C4'C7'N1'120.8°109.5°
C4'C7'N2'117.8°109.5°
C4'C7'H7'103.2°109.4°
C6'C5'H5'117.8°119.9°
C5'C6'H6'122.7°120.1°
N1'C7'N2'121.2°109.5°
N1'C7'H7'72.0°109.5°
C7'N1'HN'1120.8°106.7°
C7'N1'HN'2108.1°106.8°
N2'C7'H7'100.1°109.4°
C7'N2'C8'124.1°106.8°
C7'N2'HN2'107.0°106.7°
HN'1N1'HN'2108.2°106.7°
C8'N2'HN2'107.0°106.7°
N2'C8'C9'118.0°117.5°
N2'C8'CAX110.7°117.6°
N2'C8'H8'96.7°115.6°
C9'C8'CAX61.2°60.0°
C9'C8'H8'131.6°117.5°
C8'C9'CAX59.9°60.0°
C8'C9'H9'1135.1°117.5°
C8'C9'H9'2135.1°117.5°
CAXC8'H8'137.9°117.4°
C8'CAXC9'59.0°60.0°
C8'CAXH1'1135.6°117.5°
C8'CAXH1'2135.6°117.5°
CAXC9'H9'1135.1°117.5°
CAXC9'H9'2135.1°117.5°
C9'CAXH1'1135.6°117.4°
C9'CAXH1'2135.6°117.5°
H9'1C9'H9'270.3°115.5°
H1'1CAXH1'269.7°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C10C8H101125.2°107.4°
C9C10C8H102125.3°107.6°
C9C10H101H102135.0°145.7°
C10C9C8H91125.3°107.5°
C10C9C8H92125.3°107.5°
C10C9H91H92135.1°145.7°
C9C10C8N291.5°107.6°
C9C10C8H8134.6°107.4°
C8C10H101H102135.0°145.7°
C10C8N2H8145.7°145.7°
C10C8N2C7154.4°150.0°
C10C8N2HN280.3°36.2°
H101C10C9H91109.5°145.0°
H101C10C9H920.0°0.0°
H101C10C8N2143.2°145.0°
H101C10C8H89.4°0.0°
H102C10C9H910.0°0.1°
H102C10C9H92109.5°145.0°
H102C10C8N233.7°0.0°
H102C10C8H8100.1°145.0°
C8C9H91H92135.0°145.7°
C9C8N2H8149.9°145.6°
C9C8N2C7141.2°141.3°
C9C8N2HN215.9°104.9°
H91C9C8N28.2°0.1°
H91C9C8H8118.0°145.0°
H92C9C8N2117.5°144.9°
H92C9C8H88.7°0.0°
C8N2C7HN2125.2°113.8°
C8N2C7N121.3°90.0°
C8N2C7C4165.0°150.0°
C8N2C7H758.9°30.0°
H8C8N2C78.7°4.3°
H8C8N2HN2133.9°109.5°
N2C7N1C4173.7°120.1°
N2C7N1H780.4°119.9°
N2C7C4H793.3°120.0°
N2C7N1HN11180.0°60.0°
N2C7N1HN1254.7°53.7°
N2C7C4C3146.1°150.0°
N2C7C4C540.5°30.3°
HN2N2C7N1103.9°23.8°
HN2N2C7C469.8°96.2°
HN2N2C7H7175.9°143.8°
N1C7C4H792.9°120.0°
C7N1HN11HN12125.3°113.7°
N1C7C4C340.0°30.0°
N1C7C4C5133.3°150.3°
C4C7N1HN116.3°60.0°
C4C7N1HN12131.6°173.8°
C7C4C3C2173.4°180.0°
C7C4C3C5173.3°179.7°
C7C4C3H36.6°0.1°
C7C4C5C6172.8°179.8°
C7C4C5H57.1°0.3°
H7C7N1HN1199.6°180.0°
H7C7N1HN1225.7°66.2°
H7C7C4C352.8°90.0°
H7C7C4C5133.8°89.7°
C2C1C6CA178.7°180.0°
C1C2C3H2180.0°180.0°
C1C2C3C40.9°0.0°
C1C2C3H3179.1°180.0°
C2C1C6C50.4°0.2°
C2C1C6H6179.6°180.0°
C2C1CACB178.6°179.7°
C2C1CAO11.4°0.0°
C6C1C2C31.1°0.0°
C6C1C2H2179.0°180.0°
C1C6C5C40.4°0.5°
C1C6C5H6180.0°179.8°
C1C6C5H5179.7°180.0°
C6C1CACB0.1°0.3°
C6C1CAO1179.9°180.0°
CAC1C2C3177.6°180.0°
CAC1C2H22.3°0.0°
CAC1C6C5178.2°179.8°
CAC1C6H61.7°0.1°
C1CACBO1179.9°179.8°
C1CACBCB'178.8°179.9°
C1CACBHB1.2°0.2°
C1CAO1CA'179.2°180.0°
C2C3C4H3180.0°179.9°
C2C3C4C50.1°0.3°
H2C2C3C4179.1°180.0°
H2C2C3H30.9°0.0°
C3C4C5C60.5°0.5°
C3C4C5H5179.5°180.0°
H3C3C4C5179.9°179.8°
C4C5C6H5180.0°179.5°
C4C5C6H6179.6°179.7°
H5C5C6H60.4°0.2°
CACBCB'HB180.0°179.6°
CACBCB'CA'2.8°0.4°
CACBCB'HB'177.2°179.8°
CBCAO1CA'0.8°0.2°
O1CACBCB'1.2°0.4°
O1CACBHB178.9°180.0°
CAO1CA'CB'2.7°0.1°
CAO1CA'C1'175.8°180.0°
CBCB'CA'HB'180.0°179.8°
CBCB'CA'O13.4°0.3°
CBCB'CA'C1'174.8°179.8°
HBCBCB'CA'177.3°180.0°
HBCBCB'HB'2.8°0.1°
CB'CA'O1C1'178.5°179.9°
CB'CA'C1'C2'177.6°180.0°
CB'CA'C1'C6'0.5°0.3°
HB'CB'CA'O1176.6°179.9°
HB'CB'CA'C1'5.2°0.0°
O1CA'C1'C2'0.5°0.1°
O1CA'C1'C6'178.7°179.8°
CA'C1'C2'C6'178.2°179.7°
CA'C1'C2'C3'177.2°179.9°
CA'C1'C2'H2'2.9°0.0°
CA'C1'C6'C5'177.4°179.7°
CA'C1'C6'H6'2.6°0.3°
C1'C2'C3'H2'179.9°180.0°
C1'C2'C3'C4'0.6°0.0°
C1'C2'C3'H3'179.4°180.0°
C2'C1'C6'C5'0.6°0.6°
C2'C1'C6'H6'179.3°180.0°
C6'C1'C2'C3'1.0°0.3°
C6'C1'C2'H2'178.9°179.7°
C1'C6'C5'C4'0.1°0.7°
C1'C6'C5'H6'179.9°179.4°
C1'C6'C5'H5'179.9°179.8°
C2'C3'C4'H3'180.0°180.0°
C2'C3'C4'C5'0.1°0.0°
C2'C3'C4'C7'176.8°180.0°
H2'C2'C3'C4'179.3°180.0°
H2'C2'C3'H3'0.7°0.0°
C3'C4'C5'C7'176.6°180.0°
C3'C4'C5'C6'0.5°0.4°
C3'C4'C5'H5'179.5°180.0°
C3'C4'C7'N1'16.6°63.1°
C3'C4'C7'N2'157.6°57.0°
C3'C4'C7'H7'93.3°176.9°
H3'C3'C4'C5'179.9°179.9°
H3'C3'C4'C7'3.2°0.0°
C4'C5'C6'H5'180.0°179.6°
C4'C5'C6'H6'180.0°179.9°
C5'C4'C7'N1'166.9°117.0°
C5'C4'C7'N2'19.0°123.0°
C5'C4'C7'H7'90.1°3.0°
C7'C4'C5'C6'177.0°179.7°
C7'C4'C5'H5'2.9°0.1°
C4'C7'N1'N2'173.9°120.1°
C4'C7'N1'H7'94.9°120.0°
C4'C7'N2'H7'110.9°119.9°
C4'C7'N1'HN'1179.9°60.0°
C4'C7'N1'HN'254.7°53.8°
C4'C7'N2'C8'150.7°135.9°
C4'C7'N2'HN2'25.5°22.1°
H5'C5'C6'H6'0.1°0.4°
N1'C7'N2'H7'75.1°120.0°
C7'N1'HN'1HN'2125.3°113.8°
N1'C7'N2'C8'23.4°104.1°
N1'C7'N2'HN2'148.6°142.1°
N2'C7'N1'HN'16.0°60.1°
N2'C7'N1'HN'2131.4°173.8°
C7'N2'C8'HN2'125.3°113.8°
C7'N2'C8'C9'141.3°150.0°
C7'N2'C8'CAX151.2°141.4°
C7'N2'C8'H8'3.8°4.3°
H7'C7'N1'HN'185.1°180.0°
H7'C7'N1'HN'240.2°66.2°
H7'C7'N2'C8'98.4°15.9°
H7'C7'N2'HN2'136.3°97.9°
N2'C8'C9'CAX99.4°107.5°
N2'C8'C9'H8'130.5°145.0°
N2'C8'CAXH8'127.1°145.0°
N2'C8'C9'H9'125.9°145.0°
N2'C8'C9'H9'2135.3°0.0°
N2'C8'CAXH1'1123.3°0.0°
N2'C8'CAXH1'213.8°145.0°
HN2'N2'C8'C9'16.0°36.2°
HN2'N2'C8'CAX83.5°104.8°
HN2'N2'C8'H8'129.1°109.5°
C9'C8'CAXH8'121.5°107.5°
C8'C9'CAXH9'1125.3°107.5°
C8'C9'CAXH9'2125.3°107.5°
C8'C9'H9'1H9'2135.0°145.6°
C9'C8'CAXH1'1125.2°107.4°
C9'C8'CAXH1'2125.2°107.5°
C8'CAXH1'1H1'2135.3°145.7°
H8'C8'C9'H9'1104.6°0.0°
H8'C8'C9'H9'24.7°145.0°
H8'C8'CAXH1'13.8°145.1°
H8'C8'CAXH1'2113.3°0.0°
CAXC9'H9'1H9'2135.0°145.7°
C9'CAXH1'1H1'2135.2°145.7°
H9'1C9'CAXH1'1109.4°145.0°
H9'1C9'CAXH1'20.0°0.0°
H9'2C9'CAXH1'10.0°0.0°
H9'2C9'CAXH1'2109.4°145.0°

225946

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