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NBS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
PBO4Psing1.61Å1.50Å
PBO5Psing1.61Å1.51Å
PBO6Pdoub1.48Å1.51Å
PBO3Psing1.61Å1.66Å
O4PHOP4sing0.97Å0.95Å
O5PHOP5sing0.97Å0.95Å
PAO1Psing1.61Å1.48Å
PAO2Pdoub1.48Å1.49Å
PAO3Psing1.61Å1.65Å
PAO5'sing1.61Å1.61Å
O1PHOP1sing0.97Å0.95Å
O5'C5'sing1.43Å1.43Å
C5'C4'sing1.53Å1.54Å
C5'H5'1sing1.09Å1.12Å
C5'H5'2sing1.09Å1.11Å
C4'O4'sing1.45Å1.46Å
C4'C3'sing1.54Å1.51Å
C4'H4'sing1.09Å1.11Å
O4'C1'sing1.44Å1.45Å
C1'N9sing1.46Å1.48Å
C1'C2'sing1.54Å1.52Å
C1'H1'sing1.09Å1.11Å
N9C4sing1.37Å1.37ÅAromatic
N9C8sing1.36Å1.37ÅAromatic
C4N3doub1.33Å1.35ÅAromatic
C4C5sing1.41Å1.37ÅAromatic
N3C2sing1.32Å1.33ÅAromatic
C2N1doub1.32Å1.33ÅAromatic
C2H2sing1.08Å1.10Å
N1C6sing1.33Å1.35ÅAromatic
C6N6sing1.38Å1.40Å
C6C5doub1.41Å1.41ÅAromatic
N6CB1sing1.47Å1.45Å
N6H6sing0.97Å1.02Å
CB1CB2sing1.51Å1.56Å
CB1HB11sing1.09Å1.12Å
CB1HB12sing1.09Å1.11Å
CB2CB3doub1.38Å1.39ÅAromatic
CB2CB7sing1.38Å1.38ÅAromatic
CB3CB4sing1.38Å1.42ÅAromatic
CB3HB3sing1.08Å1.10Å
CB4CB5doub1.38Å1.40ÅAromatic
CB4HB4sing1.08Å1.10Å
CB5CB6sing1.38Å1.40ÅAromatic
CB5HB5sing1.08Å1.10Å
CB6CB7doub1.38Å1.42ÅAromatic
CB6HB6sing1.08Å1.10Å
CB7HB7sing1.08Å1.10Å
C5N7sing1.35Å1.39ÅAromatic
N7C8doub1.30Å1.30ÅAromatic
C8H8sing1.08Å1.10Å
C2'O2'sing1.43Å1.43Å
C2'C3'sing1.55Å1.51Å
C2'H2'sing1.09Å1.12Å
O2'HO'2sing0.97Å0.95Å
C3'O3'sing1.43Å1.41Å
C3'H3'sing1.09Å1.12Å
O3'HO'3sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O4PPBO5P115.4°109.5°
O4PPBO6P114.5°109.4°
O4PPBO3P93.6°109.5°
PBO4PHOP4115.3°106.8°
O5PPBO6P116.0°109.5°
O5PPBO3P108.0°109.5°
PBO5PHOP5115.3°106.8°
O6PPBO3P106.2°109.4°
PBO3PPA124.5°106.8°
O1PPAO2P118.7°109.5°
O1PPAO3P103.9°109.4°
O1PPAO5'103.4°109.4°
PAO1PHOP1118.6°106.8°
O2PPAO3P117.2°109.5°
O2PPAO5'108.9°109.5°
O3PPAO5'102.8°109.5°
PAO5'C5'123.4°106.8°
O5'C5'C4'114.4°109.5°
O5'C5'H5'1110.4°109.5°
O5'C5'H5'2110.4°109.5°
C4'C5'H5'1110.4°109.4°
C4'C5'H5'2110.4°109.4°
C5'C4'O4'112.9°110.3°
C5'C4'C3'109.1°110.7°
C5'C4'H4'106.3°110.3°
H5'1C5'H5'299.8°109.5°
O4'C4'C3'105.9°104.7°
O4'C4'H4'109.5°110.4°
C4'O4'C1'108.3°105.4°
C3'C4'H4'113.3°110.3°
C4'C3'C2'104.9°104.2°
C4'C3'O3'108.1°110.5°
C4'C3'H3'114.0°110.5°
O4'C1'N9109.1°110.5°
O4'C1'C2'107.3°104.8°
O4'C1'H1'111.6°110.4°
N9C1'C2'110.9°110.4°
N9C1'H1'108.0°110.3°
C1'N9C4126.5°126.3°
C1'N9C8128.6°126.3°
C2'C1'H1'109.8°110.3°
C1'C2'O2'110.7°110.7°
C1'C2'C3'105.9°104.0°
C1'C2'H2'111.6°110.6°
C4N9C8104.8°107.4°
N9C4N3126.7°134.8°
N9C4C5106.6°106.0°
N9C8N7114.3°110.0°
N9C8H8125.2°125.0°
N3C4C5126.7°119.1°
C4N3C2110.9°120.6°
C4C5C6117.2°118.2°
C4C5N7110.2°107.1°
N3C2N1128.6°122.5°
N3C2H2115.8°118.7°
N1C2H2115.6°118.8°
C2N1C6119.4°121.2°
N1C6N6118.4°120.8°
N1C6C5117.1°118.5°
N6C6C5124.4°120.7°
C6N6CB1124.4°120.0°
C6N6H6106.9°120.0°
C6C5N7132.7°134.7°
CB1N6H6106.9°120.0°
N6CB1CB2114.0°109.5°
N6CB1HB11110.5°109.5°
N6CB1HB12110.6°109.5°
CB2CB1HB11110.5°109.4°
CB2CB1HB12110.6°109.5°
CB1CB2CB3119.7°120.0°
CB1CB2CB7120.7°120.0°
HB11CB1HB1299.7°109.5°
CB3CB2CB7119.6°120.0°
CB2CB3CB4120.9°120.0°
CB2CB3HB3118.5°120.0°
CB2CB7CB6120.6°120.0°
CB2CB7HB7118.3°120.0°
CB4CB3HB3120.6°120.0°
CB3CB4CB5119.3°120.0°
CB3CB4HB4120.8°120.0°
CB5CB4HB4119.9°120.0°
CB4CB5CB6119.7°119.9°
CB4CB5HB5120.4°120.1°
CB6CB5HB5119.8°120.0°
CB5CB6CB7119.9°120.1°
CB5CB6HB6119.3°120.0°
CB7CB6HB6120.8°120.0°
CB6CB7HB7121.1°120.0°
C5N7C8104.1°109.5°
N7C8H8120.5°125.0°
O2'C2'C3'111.0°110.5°
O2'C2'H2'106.6°110.5°
C2'O2'HO'2110.6°106.8°
C3'C2'H2'111.2°110.5°
C2'C3'O3'111.6°110.5°
C2'C3'H3'110.7°110.5°
O3'C3'H3'107.6°110.5°
C3'O3'HO'3108.1°106.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O4PPBO5PO6P137.9°120.0°
O4PPBO5PO3P103.2°120.0°
O4PPBO6PO3P101.8°120.0°
O4PPBO5PHOP5180.0°60.1°
O4PPBO3PPA127.5°180.0°
O5PPBO6PO3P119.9°120.0°
O5PPBO4PHOP4180.0°60.0°
O5PPBO3PPA9.3°60.0°
O6PPBO4PHOP441.5°60.0°
O6PPBO5PHOP542.1°180.0°
O6PPBO3PPA115.7°60.1°
O3PPBO4PHOP468.1°180.0°
O3PPBO5PHOP576.8°60.0°
PBO3PPAO1P160.6°60.0°
PBO3PPAO2P27.6°59.9°
PBO3PPAO5'91.8°180.0°
O1PPAO2PO3P126.1°120.0°
O1PPAO2PO5'117.8°120.0°
O1PPAO3PO5'107.5°119.9°
O1PPAO5'C5'79.7°60.0°
O2PPAO3PO5'119.4°120.1°
O2PPAO1PHOP1180.0°180.0°
O2PPAO5'C5'153.2°60.0°
O3PPAO1PHOP147.8°60.0°
O3PPAO5'C5'28.2°180.0°
O5'PAO1PHOP159.3°60.0°
PAO5'C5'C4'46.6°180.0°
PAO5'C5'H5'1171.8°60.0°
PAO5'C5'H5'278.7°60.1°
O5'C5'C4'H5'1125.3°120.0°
O5'C5'C4'H5'2125.3°120.0°
O5'C5'H5'1H5'2116.3°120.0°
O5'C5'C4'O4'57.0°61.4°
O5'C5'C4'C3'174.4°176.9°
O5'C5'C4'H4'63.1°60.8°
C4'C5'H5'1H5'2116.2°119.9°
C5'C4'O4'C3'119.3°119.2°
C5'C4'O4'H4'118.2°122.2°
C5'C4'C3'H4'118.2°122.3°
C5'C4'O4'C1'93.1°159.5°
C5'C4'C3'C2'94.1°142.7°
C5'C4'C3'O3'146.8°98.6°
C5'C4'C3'H3'27.1°24.1°
H5'1C5'C4'O4'68.3°178.5°
H5'1C5'C4'C3'49.1°63.1°
H5'1C5'C4'H4'171.6°59.2°
H5'2C5'C4'O4'177.7°58.6°
H5'2C5'C4'C3'60.3°56.9°
H5'2C5'C4'H4'62.2°179.2°
O4'C4'C3'H4'120.0°118.8°
C4'O4'C1'N9106.2°159.3°
C4'O4'C1'C2'14.1°40.4°
C4'O4'C1'H1'134.5°78.4°
O4'C4'C3'C2'27.7°23.8°
O4'C4'C3'O3'91.4°142.5°
O4'C4'C3'H3'148.9°94.9°
C3'C4'O4'C1'26.2°40.4°
C4'C3'C2'C1'18.9°0.1°
C4'C3'C2'O2'139.1°118.9°
C4'C3'C2'O3'116.8°118.7°
C4'C3'C2'H3'123.4°118.7°
C4'C3'C2'H2'102.4°118.6°
C4'C3'O3'H3'123.5°122.6°
C4'C3'O3'HO'3179.9°178.1°
H4'C4'O4'C1'148.7°78.3°
H4'C4'C3'C2'147.7°94.9°
H4'C4'C3'O3'28.6°23.8°
H4'C4'C3'H3'91.1°146.4°
O4'C1'N9C2'118.1°115.5°
O4'C1'N9H1'121.5°122.3°
O4'C1'C2'H1'121.5°118.8°
O4'C1'N9C4163.0°154.9°
O4'C1'N9C813.8°25.4°
O4'C1'C2'O2'123.9°142.7°
O4'C1'C2'C3'3.5°24.0°
O4'C1'C2'H2'117.6°94.6°
N9C1'C2'H1'119.4°122.2°
C1'N9C4C8177.4°179.8°
C1'N9C4N32.6°0.8°
C1'N9C4C5176.5°179.9°
C1'N9C8N7176.5°180.0°
C1'N9C8H83.5°0.1°
N9C1'C2'O2'117.0°98.4°
N9C1'C2'C3'122.7°143.0°
N9C1'C2'H2'1.5°24.4°
C2'C1'N9C478.9°89.7°
C2'C1'N9C8104.3°90.1°
C1'C2'O2'C3'117.3°114.7°
C1'C2'O2'H2'121.5°122.8°
C1'C2'C3'H2'121.4°118.7°
C1'C2'O2'HO'2180.0°176.1°
C1'C2'C3'O3'97.8°118.7°
C1'C2'C3'H3'142.3°118.7°
H1'C1'N9C441.6°32.6°
H1'C1'N9C8135.3°147.7°
H1'C1'C2'O2'2.4°23.8°
H1'C1'C2'C3'118.0°94.8°
H1'C1'C2'H2'120.9°146.6°
N9C4N3C5178.9°179.0°
N9C4N3C2179.4°179.5°
N9C4C5C6180.0°179.8°
N9C4C5N70.8°0.4°
C4N9C8N70.8°0.2°
C4N9C8H8179.1°179.7°
C8N9C4N3179.9°179.5°
C8N9C4C51.0°0.3°
N9C8N7C50.4°0.0°
N9C8N7H8180.0°179.9°
C4N3C2N10.1°0.2°
C4N3C2H2179.9°179.7°
N3C4C5C60.9°0.5°
N3C4C5N7179.9°179.6°
C5C4N3C20.4°0.5°
C4C5C6N10.8°0.3°
C4C5C6N6178.0°179.7°
C4C5C6N7178.9°179.8°
C4C5N7C80.3°0.2°
N3C2N1H2180.0°179.9°
N3C2N1C60.2°0.0°
C2N1C6N6177.7°180.0°
C2N1C6C50.3°0.0°
H2C2N1C6179.9°180.0°
N1C6N6C5177.2°180.0°
N1C6N6CB1162.9°0.0°
N1C6N6H671.9°179.9°
N1C6C5N7179.7°179.9°
C6N6CB1H6125.3°179.9°
C6N6CB1CB298.7°180.0°
C6N6CB1HB1126.6°60.0°
C6N6CB1HB12136.0°60.0°
N6C6C5N73.1°0.0°
C5C6N6CB119.9°180.0°
C5C6N6H6105.3°0.0°
C6C5N7C8179.3°180.0°
N6CB1CB2HB11125.2°120.0°
N6CB1CB2HB12125.3°120.0°
N6CB1HB11HB12116.4°120.1°
N6CB1CB2CB3146.2°90.0°
N6CB1CB2CB735.6°90.3°
H6N6CB1CB226.6°0.1°
H6N6CB1HB11151.8°120.0°
H6N6CB1HB1298.7°119.9°
CB2CB1HB11HB12116.4°120.0°
CB1CB2CB3CB7178.2°179.7°
CB1CB2CB3CB4177.7°180.0°
CB1CB2CB3HB32.3°0.0°
CB1CB2CB7CB6177.4°179.8°
CB1CB2CB7HB72.6°0.3°
HB11CB1CB2CB388.5°30.0°
HB11CB1CB2CB789.7°149.7°
HB12CB1CB2CB320.9°150.0°
HB12CB1CB2CB7160.9°29.7°
CB2CB3CB4HB3180.0°180.0°
CB2CB3CB4CB50.1°0.0°
CB2CB3CB4HB4179.9°179.9°
CB3CB2CB7CB60.8°0.5°
CB3CB2CB7HB7179.2°180.0°
CB7CB2CB3CB40.6°0.3°
CB7CB2CB3HB3179.5°179.7°
CB2CB7CB6CB50.6°0.4°
CB2CB7CB6HB7180.0°179.5°
CB2CB7CB6HB6179.5°179.7°
CB3CB4CB5HB4180.0°179.9°
CB3CB4CB5CB60.2°0.1°
CB3CB4CB5HB5179.8°179.9°
HB3CB3CB4CB5179.9°180.0°
HB3CB3CB4HB40.1°0.1°
CB4CB5CB6HB5180.0°180.0°
CB4CB5CB6CB70.1°0.2°
CB4CB5CB6HB6179.9°180.0°
HB4CB4CB5CB6179.8°180.0°
HB4CB4CB5HB50.2°0.0°
CB5CB6CB7HB6180.0°179.9°
CB5CB6CB7HB7179.5°180.0°
HB5CB5CB6CB7180.0°179.8°
HB5CB5CB6HB60.0°0.0°
HB6CB6CB7HB70.5°0.2°
C5N7C8H8179.6°179.9°
O2'C2'C3'H2'118.4°122.5°
O2'C2'C3'O3'22.4°0.2°
O2'C2'C3'H3'97.5°122.4°
C3'C2'O2'HO'262.7°61.4°
C2'C3'O3'H3'121.7°122.6°
C2'C3'O3'HO'365.3°63.4°
H2'C2'O2'HO'258.5°61.1°
H2'C2'C3'O3'140.8°122.7°
H2'C2'C3'H3'20.9°0.1°
H3'C3'O3'HO'356.4°59.3°

224931

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