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TD8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S1C2sing1.71Å1.74ÅAromatic
S1C5sing1.76Å1.72ÅAromatic
C2N3doub1.29Å1.37ÅAromatic
C2C8sing1.51Å1.50Å
N3C4sing1.32Å1.38ÅAromatic
N3C35sing1.46Å1.49Å
C4C5doub1.34Å1.49ÅAromatic
C4C4Asing1.51Å1.51Å
C5C5Asing1.51Å1.52Å
C8C9sing1.53Å1.51Å
C8O9sing1.43Å1.34Å
C9C10sing1.53Å1.51Å
PAO1Adoub1.48Å1.52Å
PAO2Asing1.61Å1.54Å
PAO3Asing1.61Å1.63Å
PAO5Gsing1.61Å1.62Å
PBO1Bsing1.61Å1.50Å
PBO2Bdoub1.48Å1.50Å
PBO3Asing1.61Å1.65Å
PBO3Bsing1.61Å1.53Å
N1'C2'doub1.32Å1.35ÅAromatic
N1'C6'sing1.33Å1.34ÅAromatic
C10C12sing1.53Å1.52Å
O11C14sing1.34Å1.26Å
C12C14sing1.51Å1.52Å
O12C14doub1.21Å1.26Å
C2'C2Asing1.51Å1.49Å
C2'N3'sing1.32Å1.35ÅAromatic
N3'C4'doub1.33Å1.36ÅAromatic
C35C5'sing1.51Å1.54Å
C4'N4'sing1.39Å1.34Å
C4'C5'sing1.40Å1.40ÅAromatic
C5'C6'doub1.38Å1.39ÅAromatic
C5AC5Bsing1.53Å1.53Å
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
O11HO11sing0.97Å0.95Å
O1BHO1Bsing0.97Å0.95Å
O2AHO2Asing0.97Å0.95Å
O3BHO3Bsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2S1C593.8°90.3°
S1C2N3111.8°110.2°
S1C2C8111.2°124.9°
S1C5C4107.4°108.0°
S1C5C5A117.2°126.0°
N3C2C8130.9°124.9°
C2N3C4113.8°117.1°
C2N3C35121.6°121.5°
C2C8C9113.1°109.5°
C2C8O9118.4°109.5°
C2C8H8101.6°109.5°
C4N3C35124.6°121.5°
N3C4C5113.2°114.5°
N3C4C4A125.8°122.7°
N3C35C5'112.1°109.5°
N3C35H35108.8°109.4°
N3C35H35A108.8°109.4°
C5C4C4A121.0°122.8°
C4C5C5A135.4°126.0°
C4C4AH4A109.5°109.4°
C4C4AH4AA109.4°109.5°
C4C4AH4AB109.4°109.4°
C5C5AC5B107.2°109.4°
C5C5AH5A110.0°109.5°
C5C5AH5AA110.0°109.4°
C9C8O9115.8°109.5°
C8C9C10110.6°109.5°
C9C8H8101.5°109.5°
C8C9H9109.2°109.5°
C8C9H9A109.2°109.5°
O9C8H8103.0°109.5°
C8O9HO9109.5°114.0°
C9C10C12113.2°109.5°
C10C9H9109.2°109.5°
C10C9H9A109.2°109.5°
C9C10H10108.5°109.4°
C9C10H10A108.5°109.5°
O1APAO2A118.5°109.5°
O1APAO3A109.5°109.5°
O1APAO5G104.3°109.5°
O2APAO3A110.4°109.5°
O2APAO5G107.4°109.5°
PAO2AHO2A109.5°114.0°
O3APAO5G105.9°109.5°
PAO3APB128.9°134.0°
PAO5GC5B116.5°123.0°
O1BPBO2B113.6°109.5°
O1BPBO3A108.3°109.5°
O1BPBO3B110.3°109.5°
PBO1BHO1B109.5°114.0°
O2BPBO3A102.9°109.5°
O2BPBO3B116.3°109.5°
O3APBO3B104.5°109.4°
PBO3BHO3B109.5°114.0°
C2'N1'C6'121.3°121.0°
N1'C2'C2A121.2°119.0°
N1'C2'N3'119.5°121.9°
N1'C6'C5'121.2°119.2°
N1'C6'H6'119.4°120.4°
C10C12C14117.2°109.5°
C12C10H10108.5°109.5°
C12C10H10A108.5°109.5°
C10C12H12107.5°109.5°
C10C12H12A107.5°109.5°
O11C14C12120.4°120.0°
O11C14O12123.4°120.0°
C14O11HO11109.5°117.0°
C12C14O12116.1°120.0°
C14C12H12107.5°109.5°
C14C12H12A107.5°109.5°
C2AC2'N3'119.3°119.1°
C2'C2AH2A109.5°109.5°
C2'C2AH2AA109.5°109.4°
C2'C2AH2AB109.5°109.5°
C2'N3'C4'121.0°120.6°
N3'C4'N4'115.6°120.5°
N3'C4'C5'120.7°119.0°
C35C5'C4'124.9°120.9°
C35C5'C6'118.9°120.8°
C5'C35H35108.8°109.5°
C5'C35H35A108.8°109.5°
N4'C4'C5'123.7°120.5°
C4'N4'HN4'109.5°120.0°
C4'N4'HN4A109.5°120.0°
C4'C5'C6'116.2°118.3°
C5'C6'H6'119.4°120.4°
C5AC5BO5G115.6°109.5°
C5BC5AH5A110.1°109.5°
C5BC5AH5AA110.1°109.5°
C5AC5BH5B107.9°109.5°
C5AC5BH5BA107.9°109.5°
O5GC5BH5B107.9°109.4°
O5GC5BH5BA107.9°109.4°
H9C9H9A109.5°109.5°
H10C10H10A109.4°109.5°
H12C12H12A109.5°109.5°
H2AC2AH2AA109.4°109.5°
H2AC2AH2AB109.5°109.5°
H2AAC2AH2AB109.5°109.5°
H35C35H35A109.5°109.5°
HN4'N4'HN4A109.5°119.9°
H4AC4AH4AA109.5°109.5°
H4AC4AH4AB109.5°109.5°
H4AAC4AH4AB109.5°109.5°
H5AC5AH5AA109.5°109.5°
H5BC5BH5BA109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S1C2N3C8149.5°180.0°
S1C2N3C40.5°0.0°
S1C2N3C35177.0°180.0°
C2S1C5C42.1°0.0°
C2S1C5C5A179.4°180.0°
S1C2C8C969.6°75.0°
S1C2C8O9150.2°45.0°
S1C2C8H838.4°165.0°
C5S1C2N31.0°0.0°
C5S1C2C8154.7°180.0°
S1C5C4N32.8°0.0°
S1C5C4C5A176.7°180.0°
S1C5C4C4A179.8°180.0°
S1C5C5AC5B59.8°90.0°
S1C5C5AH5A59.9°30.0°
S1C5C5AH5AA179.4°150.0°
C2N3C4C35176.3°180.0°
C2N3C4C52.1°0.0°
C2N3C4C4A179.1°180.0°
N3C2C8C9140.8°105.1°
N3C2C8O90.6°135.0°
C2N3C35C5'91.5°92.1°
N3C2C8H8111.2°14.9°
C2N3C35H35148.1°147.9°
C2N3C35H35A28.9°28.0°
C8C2N3C4150.0°180.0°
C8C2N3C3533.6°0.0°
C2C8C9O9141.3°120.0°
C2C8C9H8108.0°120.0°
C2C8O9H8111.1°120.0°
C2C8C9C10117.9°175.0°
C2C8C9H92.2°55.0°
C2C8C9H9A121.9°65.0°
C2C8O9HO9180.0°60.0°
N3C4C5C4A177.1°180.0°
N3C4C5C5A179.4°180.0°
C4N3C35C5'84.6°87.9°
C4N3C35H3535.8°32.0°
C4N3C35H35A155.0°152.0°
N3C4C4AH4A91.8°89.7°
N3C4C4AH4AA148.2°150.3°
N3C4C4AH4AB28.2°30.3°
C35N3C4C5178.5°180.0°
C35N3C4C4A4.6°0.0°
N3C35C5'H35120.4°120.0°
N3C35C5'H35A120.4°120.0°
N3C35C5'C4'68.9°175.7°
N3C35C5'C6'111.0°4.4°
N3C35H35H35A118.8°120.0°
C4C5C5AC5B116.7°90.0°
C5C4C4AH4A91.5°90.3°
C5C4C4AH4AA28.5°29.7°
C5C4C4AH4AB148.5°149.7°
C4C5C5AH5A123.7°150.0°
C4C5C5AH5AA3.0°29.9°
C4AC4C5C5A3.5°0.0°
C4C4AH4AH4AA120.0°120.0°
C4C4AH4AH4AB120.0°120.0°
C4C4AH4AAH4AB120.0°120.0°
C5C5AC5BH5A119.6°120.0°
C5C5AC5BH5AA119.6°119.9°
C5C5AC5BO5G151.0°180.0°
C5C5AH5AH5AA121.0°120.0°
C5C5AC5BH5B30.1°60.0°
C5C5AC5BH5BA88.2°60.0°
C9C8O9H8109.8°120.0°
C8C9C10H9120.2°120.0°
C8C9C10H9A120.2°120.0°
C8C9C10C1295.8°180.0°
C8C9H9H9A119.5°120.0°
C9C8O9HO940.8°60.0°
C8C9C10H1024.8°60.0°
C8C9C10H10A143.6°60.0°
O9C8C9C10100.7°65.0°
O9C8C9H9139.1°175.0°
O9C8C9H9A19.4°55.0°
C9C10C12H10120.6°119.9°
C9C10C12H10A120.6°120.0°
C9C10C12C1454.2°180.0°
C10C9C8H89.9°55.0°
C10C9H9H9A119.5°120.0°
C9C10H10H10A118.2°120.0°
C9C10C12H1266.9°60.0°
C9C10C12H12A175.3°60.0°
O1APAO2AO3A127.3°120.0°
O1APAO2AO5G117.7°120.0°
O1APAO3AO5G111.9°120.0°
O1APAO3APB23.0°45.0°
O1APAO5GC5B146.2°55.0°
O1APAO2AHO2A0.0°180.0°
O2APAO3AO5G116.0°120.0°
O2APAO3APB155.2°75.0°
O2APAO5GC5B87.2°65.0°
PAO3APBO1B11.6°75.0°
PAO3APBO2B109.0°45.0°
PAO3APBO3B129.2°165.0°
O3APAO5GC5B30.7°175.0°
O3APAO2AHO2A127.3°60.0°
O5GPAO3APB88.9°165.0°
PAO5GC5BC5A160.1°180.0°
PAO5GC5BH5B79.0°60.0°
PAO5GC5BH5BA39.2°60.0°
O5GPAO2AHO2A117.8°60.0°
O1BPBO2BO3A116.9°120.0°
O1BPBO2BO3B129.6°120.0°
O1BPBO3AO3B117.6°120.0°
O1BPBO3BHO3B131.3°60.0°
O2BPBO3AO3B121.8°120.0°
O2BPBO1BHO1B0.0°180.0°
O2BPBO3BHO3B0.0°60.0°
O3APBO1BHO1B113.7°60.0°
O3APBO3BHO3B112.5°180.0°
O3BPBO1BHO1B132.6°60.0°
N1'C2'C2AN3'180.0°180.0°
N1'C2'N3'C4'0.1°0.1°
C2'N1'C6'C5'1.9°0.1°
N1'C2'C2AH2A0.0°90.0°
N1'C2'C2AH2AA120.0°150.0°
N1'C2'C2AH2AB120.0°30.0°
C2'N1'C6'H6'178.1°180.0°
C6'N1'C2'C2A177.8°179.9°
C6'N1'C2'N3'2.1°0.1°
N1'C6'C5'C35179.5°180.0°
N1'C6'C5'C4'0.4°0.1°
N1'C6'C5'H6'180.0°179.9°
C10C12C14O1146.0°180.0°
C10C12C14H12121.1°120.0°
C10C12C14H12A121.1°120.0°
C10C12C14O12136.1°0.0°
C12C10C9H9144.0°60.0°
C12C10C9H9A24.3°60.0°
C12C10H10H10A118.3°120.0°
C10C12H12H12A116.5°120.0°
O11C14C12O12178.0°179.9°
O11C14C12H12167.1°60.0°
O11C14C12H12A75.1°60.0°
C14C12C10H10174.8°60.0°
C14C12C10H10A66.4°60.0°
C14C12H12H12A116.5°120.0°
C12C14O11HO11177.8°180.0°
O12C14C12H1215.0°120.0°
O12C14C12H12A102.8°120.0°
O12C14O11HO110.0°0.1°
C2AC2'N3'C4'179.9°180.0°
C2'C2AH2AH2AA120.0°120.0°
C2'C2AH2AH2AB120.0°120.0°
C2'C2AH2AAH2AB120.0°120.0°
C2'N3'C4'N4'176.3°180.0°
C2'N3'C4'C5'2.2°0.1°
N3'C2'C2AH2A180.0°90.0°
N3'C2'C2AH2AA60.0°30.0°
N3'C2'C2AH2AB60.0°150.0°
N3'C4'C5'C35177.5°180.0°
N3'C4'N4'C5'178.4°180.0°
N3'C4'C5'C6'2.4°0.1°
N3'C4'N4'HN4'0.0°5.3°
N3'C4'N4'HN4A120.0°174.6°
C35C5'C4'N4'4.1°0.0°
C35C5'C4'C6'179.9°179.9°
C5'C35H35H35A118.8°120.0°
C35C5'C6'H6'0.5°0.1°
N4'C4'C5'C6'176.0°180.0°
C4'N4'HN4'HN4A120.0°179.9°
C4'C5'C35H35170.7°64.3°
C4'C5'C35H35A51.5°55.7°
C5'C4'N4'HN4'178.5°174.6°
C5'C4'N4'HN4A58.4°5.5°
C4'C5'C6'H6'179.6°180.0°
C6'C5'C35H359.4°115.6°
C6'C5'C35H35A128.6°124.4°
C5AC5BO5GH5B120.9°120.0°
C5AC5BO5GH5BA120.9°120.0°
C5BC5AH5AH5AA121.1°120.0°
C5AC5BH5BH5BA117.2°120.1°
O5GC5BC5AH5A89.4°60.0°
O5GC5BC5AH5AA31.3°60.1°
O5GC5BH5BH5BA117.2°119.9°
H8C8C9H9110.2°65.0°
H8C8C9H9A130.1°175.0°
H8C8O9HO968.9°180.0°
H9C9C10H1095.4°180.0°
H9C9C10H10A23.4°60.0°
H9AC9C10H10144.9°60.0°
H9AC9C10H10A96.2°180.0°
H10C10C12H1253.6°180.0°
H10C10C12H12A64.1°60.0°
H10AC10C12H12172.5°60.0°
H10AC10C12H12A54.7°180.0°
H2AC2AH2AAH2AB120.0°120.0°
H4AC4AH4AAH4AB120.0°120.1°
H5AC5AC5BH5B149.7°180.0°
H5AC5AC5BH5BA31.5°60.0°
H5AAC5AC5BH5B89.6°59.9°
H5AAC5AC5BH5BA152.2°180.0°

221716

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