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9SI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OP1Pdoub1.48Å1.51Å
N6C6sing1.38Å1.35Å
N7C8doub1.30Å1.36ÅAromatic
N7C5sing1.35Å1.34ÅAromatic
POP2sing1.61Å1.51Å
PO5'sing1.61Å1.59Å
C8N9sing1.36Å1.35ÅAromatic
C5C6doub1.40Å1.48ÅAromatic
C5C4sing1.41Å1.47ÅAromatic
C6N1sing1.33Å1.34ÅAromatic
O5'C5'sing1.43Å1.43Å
C5'C4'sing1.53Å1.51Å
N9C4sing1.37Å1.34ÅAromatic
N9C1'sing1.46Å1.47Å
N1C1sing1.47Å1.47Å
N1C2doub1.32Å1.35ÅAromatic
C1C3sing1.51Å1.51Å
C4N3doub1.33Å1.36ÅAromatic
O4'C4'sing1.44Å1.46Å
O4'C1'sing1.44Å1.41Å
C4'C3'sing1.54Å1.53Å
C2'C1'sing1.55Å1.52Å
C2'C3'sing1.55Å1.53Å
C2'O2'sing1.43Å1.41Å
C2N3sing1.32Å1.35ÅAromatic
C3'O3'sing1.43Å1.43Å
C3C7doub1.38Å1.39ÅAromatic
C3C12sing1.38Å1.39ÅAromatic
C7C9sing1.38Å1.39ÅAromatic
C12C11doub1.38Å1.39ÅAromatic
C9C10doub1.38Å1.39ÅAromatic
C11C10sing1.38Å1.39ÅAromatic
C10C13sing1.51Å1.51Å
C13N10sing1.47Å1.47Å
C1H1sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H2sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C9H5sing1.08Å1.08Å
C11H6sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C13H10sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C1'H1'sing1.09Å1.10Å
C2'H2'sing1.09Å1.10Å
C3'H3'sing1.09Å1.10Å
C4'H4'sing1.09Å1.10Å
C5'H5'sing1.09Å1.10Å
C5'H5''sing1.09Å1.10Å
N10H17sing1.01Å1.00Å
N10H18sing1.01Å1.00Å
N6H61sing0.97Å1.00Å
N6H62sing0.97Å1.00Å
O2'HO2'sing0.97Å0.95Å
O3'HO3'sing0.97Å0.95Å
OP2HOP2sing0.97Å0.95Å
OP3Psing1.61Å1.61Å
OP3HOP3sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OP1POP2119.9°109.5°
OP1PO5'106.7°109.5°
OP1POP3109.5°109.4°
N6C6C5120.7°120.7°
N6C6N1120.8°120.8°
C6N6H61120.0°120.0°
C6N6H62120.0°120.0°
C8N7C5107.3°109.5°
N7C8N9111.6°110.0°
N7C8H8124.2°125.0°
N7C5C6135.6°134.7°
N7C5C4106.7°107.1°
OP2PO5'107.3°109.5°
POP2HOP2109.5°114.0°
OP2POP3109.0°109.5°
PO5'C5'120.5°123.0°
O5'POP3103.1°109.5°
C8N9C4108.0°107.4°
C8N9C1'125.0°126.3°
N9C8H8124.2°125.0°
C6C5C4117.7°118.1°
C5C6N1118.5°118.4°
C5C4N9106.4°106.0°
C5C4N3117.7°119.1°
C6N1C1118.3°119.4°
C6N1C2120.8°121.2°
O5'C5'C4'111.8°109.5°
O5'C5'H5'108.9°109.5°
O5'C5'H5''108.9°109.5°
C5'C4'O4'109.6°110.0°
C5'C4'C3'114.8°109.9°
C5'C4'H4'108.5°109.8°
C4'C5'H5'108.9°109.5°
C4'C5'H5''108.9°109.4°
C4N9C1'127.0°126.3°
N9C4N3135.9°134.9°
N9C1'O4'108.8°110.8°
N9C1'C2'113.7°110.6°
N9C1'H1'109.6°110.6°
C1N1C2121.0°119.4°
N1C1C3111.9°109.5°
N1C1H1108.9°109.5°
N1C1H3108.8°109.4°
N1C2N3124.3°122.5°
N1C2H2117.9°118.8°
C1C3C7120.0°119.9°
C1C3C12120.2°120.0°
C3C1H1108.8°109.4°
C3C1H3108.9°109.5°
C4N3C2121.0°120.6°
C4'O4'C1'109.6°107.0°
O4'C4'C3'106.3°107.3°
O4'C4'H4'109.2°109.9°
O4'C1'C2'105.4°103.5°
O4'C1'H1'110.4°110.6°
C4'C3'C2'103.4°104.2°
C4'C3'O3'109.3°110.5°
C4'C3'H3'110.7°110.6°
C3'C4'H4'108.3°109.9°
C1'C2'C3'101.7°102.1°
C1'C2'O2'111.7°110.9°
C2'C1'H1'108.9°110.6°
C1'C2'H2'109.0°110.9°
C3'C2'O2'114.6°110.9°
C2'C3'O3'110.1°110.5°
C3'C2'H2'108.9°110.9°
C2'C3'H3'110.7°110.5°
O2'C2'H2'110.5°110.9°
C2'O2'HO2'109.5°114.0°
N3C2H2117.8°118.7°
O3'C3'H3'112.3°110.5°
C3'O3'HO3'109.5°114.0°
C7C3C12119.8°120.0°
C3C7C9120.1°120.0°
C3C7H4120.0°120.0°
C3C12C11120.1°120.0°
C3C12H7120.0°120.0°
C7C9C10120.0°120.0°
C9C7H4120.0°120.0°
C7C9H5120.0°120.0°
C12C11C10120.0°120.0°
C12C11H6120.0°120.0°
C11C12H7119.9°120.1°
C9C10C11120.0°120.0°
C9C10C13120.0°120.0°
C10C9H5120.0°120.0°
C11C10C13119.9°120.0°
C10C11H6120.0°120.0°
C10C13N10109.5°109.5°
C10C13H10109.4°109.4°
C10C13H9109.5°109.4°
N10C13H10109.5°109.5°
N10C13H9109.5°109.5°
C13N10H17109.5°111.0°
C13N10H18109.4°111.0°
H1C1H3109.5°109.5°
H10C13H9109.5°109.5°
H5'C5'H5''109.5°109.5°
H17N10H18109.4°111.0°
H61N6H62120.0°120.0°
POP3HOP3109.5°114.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OP1POP2O5'121.8°120.0°
OP1POP2OP3127.2°120.0°
OP1PO5'OP3115.3°120.0°
OP1PO5'C5'60.4°55.0°
OP1POP2HOP20.0°180.0°
OP1POP3HOP30.0°60.0°
N6C6C5N70.1°0.1°
N6C6C5N1179.8°179.9°
N6C6C5C4180.0°180.0°
N6C6N1C10.3°0.1°
N6C6N1C2179.9°180.0°
C6N6H61H62180.0°179.9°
N7C8N9H8180.0°179.6°
C8N7C5C6180.0°180.0°
C8N7C5C40.0°0.0°
N7C8N9C40.0°0.3°
N7C8N9C1'179.8°179.9°
C5N7C8N90.0°0.2°
N7C5C6C4179.9°180.0°
N7C5C6N1179.8°180.0°
N7C5C4N90.1°0.2°
N7C5C4N3180.0°180.0°
C5N7C8H8180.0°179.8°
OP2PO5'OP3115.0°120.0°
OP2PO5'C5'169.9°65.0°
OP2POP3HOP3132.9°60.0°
PO5'C5'C4'136.4°180.0°
PO5'C5'H5'16.1°60.0°
PO5'C5'H5''103.2°60.0°
O5'POP2HOP2121.8°60.0°
O5'POP3HOP3113.3°180.0°
C8N9C4C50.1°0.3°
C8N9C4C1'179.8°179.6°
C8N9C4N3179.9°180.0°
C8N9C1'O4'64.5°21.3°
C8N9C1'C2'52.6°92.9°
C8N9C1'H1'174.7°144.3°
C6C5C4N9180.0°179.8°
C5C6N1C1179.9°180.0°
C5C6N1C20.4°0.1°
C6C5C4N30.1°0.0°
C5C6N6H61179.7°0.0°
C5C6N6H620.2°180.0°
C4C5C6N10.2°0.0°
C5C4N9N3179.9°179.7°
C5C4N9C1'179.8°180.0°
C5C4N3C20.1°0.0°
C6N1C1C2179.5°179.9°
C6N1C1C3164.7°84.9°
C6N1C2N30.4°0.1°
C6N1C1H144.3°35.0°
C6N1C1H375.0°155.0°
C6N1C2H2179.6°180.0°
N1C6N6H610.0°180.0°
N1C6N6H62180.0°0.1°
O5'C5'C4'H5'120.3°120.0°
O5'C5'C4'H5''120.3°120.0°
O5'C5'C4'O4'87.8°67.1°
O5'C5'C4'C3'152.7°175.0°
O5'C5'C4'H4'31.4°54.0°
O5'C5'H5'H5''118.9°120.0°
C5'O5'POP354.9°175.0°
C5'C4'O4'C3'124.6°119.5°
C5'C4'O4'H4'118.7°121.1°
C5'C4'O4'C1'130.1°146.0°
C5'C4'C3'H4'121.4°121.0°
C5'C4'C3'C2'103.6°121.6°
C5'C4'C3'O3'139.2°119.7°
C5'C4'C3'H3'15.0°2.9°
C4'C5'H5'H5''118.9°120.0°
C4N9C1'O4'115.7°158.3°
C4N9C1'C2'127.1°87.6°
N9C4N3C2179.9°179.7°
C4N9C8H8180.0°180.0°
C4N9C1'H1'5.1°35.3°
C1'N9C4N30.3°0.3°
N9C1'O4'C4'149.0°158.6°
N9C1'O4'C2'122.2°118.5°
N9C1'O4'H1'120.3°123.0°
N9C1'C2'H1'122.5°122.8°
N9C1'C2'C3'155.8°155.7°
N9C1'C2'O2'81.6°86.1°
C1'N9C8H80.2°0.4°
N9C1'C2'H2'40.8°37.5°
N1C1C3H1120.4°120.0°
N1C1C3H3120.4°120.0°
C1N1C2N3179.9°180.0°
N1C1C3C783.1°90.0°
N1C1C3C1297.6°90.3°
N1C1H1H3118.9°120.0°
C1N1C2H20.1°0.1°
C2N1C1C315.8°95.0°
N1C2N3C40.2°0.1°
N1C2N3H2180.0°179.9°
C2N1C1H1136.2°145.0°
C2N1C1H3104.6°25.1°
C1C3C7C12179.4°179.7°
C1C3C7C9179.9°180.0°
C1C3C12C11179.9°179.8°
C3C1H1H3118.9°120.1°
C1C3C7H40.1°0.1°
C1C3C12H70.1°0.0°
C4N3C2H2179.7°180.0°
O4'C4'C3'H4'117.3°119.5°
C4'O4'C1'C2'26.8°40.1°
O4'C4'C3'C2'17.8°2.0°
O4'C4'C3'O3'99.5°120.7°
C4'O4'C1'H1'90.7°78.4°
O4'C4'C3'H3'136.4°116.7°
O4'C4'C5'H5'32.6°172.9°
O4'C4'C5'H5''151.9°52.9°
C1'O4'C4'C3'5.5°26.6°
O4'C1'C2'H1'118.5°118.5°
O4'C1'C2'C3'36.8°37.0°
O4'C1'C2'O2'159.4°155.2°
O4'C1'C2'H2'78.2°81.1°
C1'O4'C4'H4'111.2°92.9°
C4'C3'C2'C1'32.4°20.9°
C4'C3'C2'O3'116.6°118.7°
C4'C3'C2'H3'118.6°118.8°
C4'C3'C2'O2'153.0°139.1°
C4'C3'O3'H3'123.2°122.7°
C4'C3'C2'H2'82.6°97.3°
C3'C4'C5'H5'87.0°55.0°
C3'C4'C5'H5''32.3°65.0°
C4'C3'O3'HO3'180.0°176.2°
C1'C2'C3'O2'120.7°118.2°
C1'C2'C3'H2'115.0°118.2°
C1'C2'O2'H2'121.5°123.7°
C1'C2'C3'O3'84.3°97.8°
C1'C2'C3'H3'150.9°139.6°
C1'C2'O2'HO2'180.0°180.0°
C3'C2'O2'H2'123.5°123.7°
C2'C3'O3'H3'123.9°122.5°
C3'C2'C1'H1'81.7°81.5°
C2'C3'C4'H4'135.0°117.4°
C3'C2'O2'HO2'65.0°67.3°
C2'C3'O3'HO3'67.1°61.4°
O2'C2'C3'O3'36.4°20.4°
O2'C2'C1'H1'40.9°36.7°
O2'C2'C3'H3'88.4°102.2°
O3'C3'C2'H2'160.8°144.0°
O3'C3'C4'H4'17.8°1.3°
C3C7C9H4180.0°179.9°
C7C3C12C110.5°0.5°
C3C7C9C100.3°0.0°
C7C3C1H137.3°150.0°
C7C3C1H3156.6°30.0°
C3C7C9H5179.7°179.9°
C7C3C12H7179.5°179.7°
C12C3C7C90.5°0.3°
C3C12C11H7180.0°179.7°
C3C12C11C100.3°0.5°
C12C3C1H1142.0°29.7°
C12C3C1H322.8°149.7°
C12C3C7H4179.5°179.8°
C3C12C11H6179.7°179.7°
C7C9C10H5180.0°179.9°
C7C9C10C110.0°0.0°
C7C9C10C13180.0°180.0°
C12C11C10C90.1°0.2°
C12C11C10H6180.0°179.8°
C12C11C10C13180.0°179.8°
C9C10C11C13179.9°180.0°
C9C10C13N10176.6°90.0°
C10C9C7H4179.7°179.9°
C9C10C11H6179.9°180.0°
C9C10C13H1056.6°150.0°
C9C10C13H963.4°30.0°
C11C10C13N103.3°90.0°
C11C10C9H5179.9°180.0°
C10C11C12H7179.7°179.8°
C11C10C13H10123.3°30.0°
C11C10C13H9116.7°150.0°
C10C13N10H10120.0°120.0°
C10C13N10H9120.0°120.0°
C13C10C9H50.0°0.1°
C13C10C11H60.0°0.0°
C10C13H10H9120.0°120.0°
C10C13N10H17180.0°56.1°
C10C13N10H1860.0°180.0°
N10C13H10H9120.0°120.0°
C13N10H17H18120.0°124.0°
H4C7C9H50.3°0.0°
H6C11C12H70.3°0.0°
H10C13N10H1760.0°63.9°
H10C13N10H18180.0°60.0°
H9C13N10H1760.0°176.1°
H9C13N10H1860.0°60.0°
H1'C1'C2'H2'163.3°160.4°
H2'C2'C3'H3'36.0°21.5°
H2'C2'O2'HO2'58.5°56.4°
H3'C3'C4'H4'106.4°123.9°
H3'C3'O3'HO3'56.8°61.1°
H4'C4'C5'H5'151.7°66.0°
H4'C4'C5'H5''88.9°174.0°
HOP2OP2POP3127.2°60.1°

222415

PDB entries from 2024-07-10

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