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TD9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S1C2sing1.71Å1.68ÅAromatic
S1C5sing1.76Å1.66ÅAromatic
C2N3doub1.29Å1.46ÅAromatic
C2C8sing1.51Å1.57Å
N3C4sing1.32Å1.41ÅAromatic
N3C35sing1.47Å1.47Å
C4C5doub1.34Å1.42ÅAromatic
C4C4Asing1.51Å1.49Å
C5C5Asing1.51Å1.51Å
C8C9sing1.53Å1.53Å
C8O9sing1.43Å1.43Å
C9C10sing1.53Å1.52Å
PAO1Adoub1.48Å1.47Å
PAO2Asing1.61Å1.54Å
PAO3Asing1.61Å1.55Å
PAO5Gsing1.61Å1.60Å
PBO1Bsing1.61Å1.52Å
PBO2Bsing1.61Å1.52Å
PBO3Asing1.61Å1.55Å
PBO3Bdoub1.48Å1.49Å
N1'C2'doub1.32Å1.34ÅAromatic
N1'C6'sing1.33Å1.34ÅAromatic
C10C12sing1.53Å1.53Å
O11C14sing1.34Å1.32Å
C12C14sing1.51Å1.50Å
O12C14doub1.21Å1.22Å
C2'C2Asing1.51Å1.50Å
C2'N3'sing1.32Å1.34ÅAromatic
N3'C4'doub1.33Å1.34ÅAromatic
C35C5'sing1.51Å1.51Å
C4'N4'sing1.38Å1.34Å
C4'C5'sing1.40Å1.43ÅAromatic
C5'C6'doub1.38Å1.38ÅAromatic
C5AC5Bsing1.53Å1.51Å
C5BO5Gsing1.43Å1.44Å
C8H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
O9HO9sing0.97Å0.95Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C2AH2Asing1.09Å1.10Å
C2AH2AAsing1.09Å1.10Å
C2AH2ABsing1.09Å1.10Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
N4'HN4'sing0.97Å1.00Å
N4'HN4Asing0.97Å1.00Å
C4AH4Asing1.09Å1.10Å
C4AH4AAsing1.09Å1.10Å
C4AH4ABsing1.09Å1.10Å
C5AH5Asing1.09Å1.10Å
C5AH5AAsing1.09Å1.10Å
C5BH5Bsing1.09Å1.10Å
C5BH5BAsing1.09Å1.10Å
C6'H6'sing1.08Å1.08Å
O11H11sing0.97Å0.95Å
O1BHO1Bsing0.97Å0.95Å
O2AHO2Asing0.97Å0.95Å
O2BHO2Bsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2S1C594.7°90.3°
S1C2N3110.3°110.1°
S1C2C8126.4°125.0°
S1C5C4112.0°107.9°
S1C5C5A120.9°126.0°
N3C2C8122.4°124.9°
C2N3C4110.8°117.1°
C2N3C35125.0°121.4°
C2C8C9112.9°109.5°
C2C8O9119.0°109.5°
C2C8H8105.7°109.5°
C4N3C35124.2°121.5°
N3C4C5112.1°114.5°
N3C4C4A122.4°122.7°
N3C35C5'114.0°109.5°
N3C35H35108.3°109.4°
N3C35H35A108.3°109.4°
C5C4C4A125.2°122.7°
C4C5C5A127.0°126.1°
C4C4AH4A109.5°109.4°
C4C4AH4AA109.4°109.5°
C4C4AH4AB109.5°109.5°
C5C5AC5B109.1°109.5°
C5C5AH5A109.6°109.5°
C5C5AH5AA109.6°109.5°
C9C8O9105.1°109.5°
C8C9C10116.3°109.5°
C9C8H8106.1°109.5°
C8C9H9107.7°109.5°
C8C9H9A107.7°109.5°
O9C8H8107.3°109.4°
C8O9HO9109.5°114.0°
C9C10C12112.8°109.5°
C10C9H9107.7°109.4°
C10C9H9A107.7°109.5°
C9C10H10108.6°109.4°
C9C10H10A108.6°109.5°
O1APAO2A120.8°109.5°
O1APAO3A118.5°109.5°
O1APAO5G116.3°109.5°
O2APAO3A98.4°109.5°
O2APAO5G101.0°109.4°
PAO2AHO2A109.5°114.0°
O3APAO5G97.8°109.5°
PAO3APB152.7°134.0°
PAO5GC5B120.7°123.0°
O1BPBO2B105.8°109.5°
O1BPBO3A97.6°109.5°
O1BPBO3B111.9°109.5°
PBO1BHO1B109.5°114.0°
O2BPBO3A106.8°109.5°
O2BPBO3B119.5°109.5°
PBO2BHO2B109.5°114.0°
O3APBO3B112.8°109.5°
C2'N1'C6'115.9°121.0°
N1'C2'C2A117.3°119.1°
N1'C2'N3'125.8°121.9°
N1'C6'C5'124.4°119.2°
N1'C6'H6'117.8°120.4°
C10C12C14114.9°109.5°
C12C10H10108.6°109.5°
C12C10H10A108.6°109.5°
C10C12H12108.1°109.4°
C10C12H12A108.1°109.5°
O11C14C12113.0°120.0°
O11C14O12123.5°120.0°
C14O11H11109.5°117.0°
C12C14O12123.5°120.0°
C14C12H12108.1°109.5°
C14C12H12A108.1°109.5°
C2AC2'N3'116.9°119.1°
C2'C2AH2A109.5°109.5°
C2'C2AH2AA109.5°109.5°
C2'C2AH2AB109.4°109.5°
C2'N3'C4'117.8°120.7°
N3'C4'N4'116.4°120.6°
N3'C4'C5'120.9°118.9°
C35C5'C4'126.9°120.8°
C35C5'C6'117.9°120.9°
C5'C35H35108.3°109.5°
C5'C35H35A108.3°109.5°
N4'C4'C5'122.3°120.5°
C4'N4'HN4'109.5°120.0°
C4'N4'HN4A109.5°120.0°
C4'C5'C6'115.2°118.4°
C5'C6'H6'117.8°120.4°
C5AC5BO5G113.9°109.5°
C5BC5AH5A109.6°109.5°
C5BC5AH5AA109.6°109.5°
C5AC5BH5B108.4°109.4°
C5AC5BH5BA108.3°109.5°
O5GC5BH5B108.3°109.5°
O5GC5BH5BA108.4°109.5°
H9C9H9A109.5°109.5°
H10C10H10A109.5°109.5°
H12C12H12A109.5°109.5°
H2AC2AH2AA109.5°109.5°
H2AC2AH2AB109.5°109.5°
H2AAC2AH2AB109.4°109.4°
H35C35H35A109.5°109.5°
HN4'N4'HN4A109.5°119.9°
H4AC4AH4AA109.4°109.5°
H4AC4AH4AB109.4°109.5°
H4AAC4AH4AB109.5°109.5°
H5AC5AH5AA109.5°109.4°
H5BC5BH5BA109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S1C2N3C8169.3°179.9°
S1C2N3C44.2°0.1°
S1C2N3C35173.7°180.0°
C2S1C5C41.6°0.0°
C2S1C5C5A175.7°180.0°
S1C2C8C999.3°75.0°
S1C2C8O9136.8°45.0°
S1C2C8H816.2°165.0°
C5S1C2N33.3°0.0°
C5S1C2C8165.4°180.0°
S1C5C4N30.6°0.0°
S1C5C4C5A177.1°180.0°
S1C5C4C4A173.3°180.0°
S1C5C5AC5B70.5°90.0°
S1C5C5AH5A49.4°30.1°
S1C5C5AH5AA169.5°150.0°
C2N3C4C35177.9°179.9°
C2N3C4C53.0°0.0°
C2N3C4C4A171.1°179.9°
N3C2C8C968.1°104.9°
N3C2C8O955.7°135.1°
C2N3C35C5'104.7°92.3°
N3C2C8H8176.3°15.1°
C2N3C35H35134.6°27.8°
C2N3C35H35A16.0°147.7°
C8C2N3C4165.1°180.0°
C8C2N3C3517.0°0.1°
C2C8C9O9131.2°120.0°
C2C8C9H8115.3°120.0°
C2C8O9H8119.7°120.0°
C2C8C9C1088.2°175.0°
C2C8C9H9150.8°65.0°
C2C8C9H9A32.8°55.0°
C2C8O9HO9180.0°60.0°
N3C4C5C4A174.0°180.0°
N3C4C5C5A177.8°180.0°
C4N3C35C5'72.9°87.6°
C4N3C35H3547.8°152.3°
C4N3C35H35A166.4°32.4°
N3C4C4AH4A93.1°94.7°
N3C4C4AH4AA146.9°145.3°
N3C4C4AH4AB26.8°25.3°
C35N3C4C5174.9°179.9°
C35N3C4C4A11.0°0.0°
N3C35C5'H35120.7°120.0°
N3C35C5'H35A120.7°120.0°
N3C35C5'C4'62.4°174.1°
N3C35C5'C6'116.8°5.9°
N3C35H35H35A117.9°119.9°
C4C5C5AC5B112.6°90.0°
C5C4C4AH4A93.5°85.3°
C5C4C4AH4AA26.5°34.7°
C5C4C4AH4AB146.5°154.7°
C4C5C5AH5A127.5°150.0°
C4C5C5AH5AA7.4°30.0°
C4AC4C5C5A3.8°0.1°
C4C4AH4AH4AA120.0°120.0°
C4C4AH4AH4AB120.0°120.0°
C4C4AH4AAH4AB120.0°120.0°
C5C5AC5BH5A120.0°120.0°
C5C5AC5BH5AA119.9°120.0°
C5C5AC5BO5G167.3°180.0°
C5C5AH5AH5AA120.2°120.0°
C5C5AC5BH5B46.6°60.0°
C5C5AC5BH5BA72.0°60.0°
C9C8O9H8112.7°120.0°
C8C9C10H9121.0°120.0°
C8C9C10H9A121.0°120.0°
C8C9C10C1283.7°180.0°
C8C9H9H9A116.9°120.0°
C9C8O9HO952.4°60.0°
C8C9C10H10155.8°60.0°
C8C9C10H10A36.7°60.0°
O9C8C9C10140.6°65.0°
O9C8C9H919.6°55.0°
O9C8C9H9A98.4°175.0°
C9C10C12H10120.5°119.9°
C9C10C12H10A120.5°120.0°
C9C10C12C14176.2°180.0°
C10C9C8H827.1°55.0°
C10C9H9H9A116.9°120.0°
C9C10H10H10A118.5°120.0°
C9C10C12H1263.0°60.0°
C9C10C12H12A55.5°60.0°
O1APAO2AO3A130.5°120.0°
O1APAO2AO5G129.8°120.0°
O1APAO3AO5G125.7°120.0°
O1APAO3APB179.4°40.0°
O1APAO5GC5B64.6°55.0°
O1APAO2AHO2A0.0°180.0°
O2APAO3AO5G102.4°120.0°
O2APAO3APB48.6°80.0°
O2APAO5GC5B162.8°65.0°
PAO3APBO1B31.6°165.0°
PAO3APBO2B140.8°75.0°
PAO3APBO3B86.0°45.0°
O3APAO5GC5B62.6°175.0°
O3APAO2AHO2A130.5°60.0°
O5GPAO3APB53.8°160.0°
PAO5GC5BC5A175.2°180.0°
PAO5GC5BH5B64.1°60.0°
PAO5GC5BH5BA54.5°60.0°
O5GPAO2AHO2A129.9°60.0°
O1BPBO2BO3A103.3°120.0°
O1BPBO2BO3B127.3°120.0°
O1BPBO3AO3B117.6°120.0°
O1BPBO2BHO2B127.3°60.0°
O2BPBO3AO3B133.2°120.0°
O2BPBO1BHO1B131.7°60.0°
O3APBO1BHO1B118.3°180.0°
O3APBO2BHO2B129.4°60.0°
O3BPBO1BHO1B0.0°60.0°
O3BPBO2BHO2B0.0°180.0°
N1'C2'C2AN3'178.6°180.0°
N1'C2'N3'C4'1.7°0.0°
C2'N1'C6'C5'1.3°0.1°
N1'C2'C2AH2A0.0°90.0°
N1'C2'C2AH2AA120.0°149.9°
N1'C2'C2AH2AB120.0°30.0°
C2'N1'C6'H6'178.7°180.0°
C6'N1'C2'C2A179.3°180.0°
C6'N1'C2'N3'0.8°0.1°
N1'C6'C5'C35178.7°180.0°
N1'C6'C5'C4'0.7°0.1°
N1'C6'C5'H6'180.0°179.9°
C10C12C14O11131.9°180.0°
C10C12C14H12120.8°120.0°
C10C12C14H12A120.8°120.0°
C10C12C14O1248.8°0.0°
C12C10C9H937.2°60.0°
C12C10C9H9A155.2°60.0°
C12C10H10H10A118.4°120.0°
C10C12H12H12A117.5°120.0°
O11C14C12O12179.3°179.9°
O11C14C12H12107.3°60.0°
O11C14C12H12A11.1°60.0°
C14C12C10H1055.7°60.0°
C14C12C10H10A63.3°60.0°
C14C12H12H12A117.5°120.0°
C12C14O11H11179.4°180.0°
O12C14C12H1272.0°119.9°
O12C14C12H12A169.6°120.1°
O12C14O11H110.0°0.0°
C2AC2'N3'C4'176.8°180.0°
C2'C2AH2AH2AA120.0°120.1°
C2'C2AH2AH2AB120.0°120.0°
C2'C2AH2AAH2AB119.9°120.0°
C2'N3'C4'N4'169.0°180.0°
C2'N3'C4'C5'3.8°0.0°
N3'C2'C2AH2A178.6°90.0°
N3'C2'C2AH2AA58.6°30.0°
N3'C2'C2AH2AB61.4°150.0°
N3'C4'C5'C35176.0°180.0°
N3'C4'N4'C5'172.7°180.0°
N3'C4'C5'C6'3.3°0.0°
N3'C4'N4'HN4'0.0°5.2°
N3'C4'N4'HN4A120.0°174.8°
C35C5'C4'N4'11.6°0.0°
C35C5'C4'C6'179.3°180.0°
C5'C35H35H35A118.0°120.1°
C35C5'C6'H6'1.3°0.1°
N4'C4'C5'C6'169.1°179.9°
C4'N4'HN4'HN4A120.0°180.0°
C4'C5'C35H35176.9°65.9°
C4'C5'C35H35A58.2°54.1°
C5'C4'N4'HN4'172.7°174.8°
C5'C4'N4'HN4A52.6°5.1°
C4'C5'C6'H6'179.3°180.0°
C6'C5'C35H353.8°114.1°
C6'C5'C35H35A122.5°125.9°
C5AC5BO5GH5B120.7°119.9°
C5AC5BO5GH5BA120.7°120.0°
C5BC5AH5AH5AA120.2°120.0°
C5AC5BH5BH5BA118.0°120.0°
O5GC5BC5AH5A72.8°60.0°
O5GC5BC5AH5AA47.4°60.0°
O5GC5BH5BH5BA118.0°120.0°
H8C8C9H993.9°175.0°
H8C8C9H9A148.1°65.0°
H8C8O9HO960.3°180.0°
H9C9C10H1083.3°180.0°
H9C9C10H10A157.7°60.0°
H9AC9C10H1034.7°60.0°
H9AC9C10H10A84.3°180.0°
H10C10C12H12176.5°179.9°
H10C10C12H12A65.1°60.0°
H10AC10C12H1257.5°60.0°
H10AC10C12H12A176.0°180.0°
H2AC2AH2AAH2AB120.0°120.0°
H4AC4AH4AAH4AB120.0°120.0°
H5AC5AC5BH5B166.6°180.0°
H5AC5AC5BH5BA47.9°60.0°
H5AAC5AC5BH5B73.3°60.0°
H5AAC5AC5BH5BA168.0°180.0°

221716

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