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AET

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
POP1doub1.48Å1.48Å
POP2sing1.61Å1.47Å
POP3sing1.61Å1.60Å
PO5'sing1.61Å1.61Å
OP2HOP2sing0.97Å0.95Å
OP3HOP3sing0.97Å0.95Å
O5'C5'sing1.43Å1.45Å
C5'C4'sing1.53Å1.51Å
C5'H5'sing1.09Å1.11Å
C5'H5''sing1.09Å1.11Å
C4'O4'sing1.44Å1.47Å
C4'C3'sing1.54Å1.54Å
C4'H4'sing1.09Å1.11Å
O4'C1'sing1.44Å1.43Å
C3'O3'sing1.43Å1.45Å
C3'C2'sing1.55Å1.51Å
C3'H3'sing1.09Å1.11Å
O3'HO3'sing0.97Å0.95Å
C2'O2'sing1.43Å1.51Å
C2'C1'sing1.54Å1.52Å
C2'H2'sing1.09Å1.12Å
O2'HO2'sing0.97Å0.95Å
C1'N9sing1.46Å1.47Å
C1'H1'sing1.09Å1.12Å
N9C8sing1.36Å1.37ÅAromatic
N9C4sing1.37Å1.39ÅAromatic
C8N7doub1.30Å1.31ÅAromatic
C8H8sing1.08Å1.10Å
N7C5sing1.35Å1.39ÅAromatic
C5C6sing1.40Å1.45ÅAromatic
C5C4doub1.41Å1.39ÅAromatic
C6N6sing1.39Å1.39Å
C6N1doub1.33Å1.37ÅAromatic
N6CM6sing1.46Å1.40Å
N6C10sing1.35Å1.40Å
CM6HM61sing1.09Å1.12Å
CM6HM62sing1.09Å1.11Å
CM6HM63sing1.09Å1.11Å
N1C2sing1.32Å1.35ÅAromatic
C2N3doub1.32Å1.35ÅAromatic
C2H2sing1.08Å1.10Å
N3C4sing1.33Å1.35ÅAromatic
C10O10doub1.22Å1.27Å
C10N11sing1.35Å1.34Å
N11C12sing1.46Å1.47Å
N11HN1sing0.97Å1.02Å
C12C13sing1.51Å1.54Å
C12C14sing1.53Å1.57Å
C12H12sing1.09Å1.11Å
C13ODAdoub1.21Å1.24Å
C13ODBsing1.34Å1.25Å
ODBH13sing0.97Å0.95Å
C14O14sing1.43Å1.43Å
C14C15sing1.53Å1.55Å
C14H14sing1.09Å1.12Å
O14HO4sing0.97Å0.95Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.12Å
C15H153sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OP1POP2114.5°109.5°
OP1POP3110.1°109.5°
OP1PO5'108.0°109.5°
OP2POP3110.6°109.5°
OP2PO5'111.6°109.4°
POP2HOP2114.5°106.8°
OP3PO5'101.2°109.4°
POP3HOP3110.1°106.9°
PO5'C5'117.1°106.8°
O5'C5'C4'110.7°109.5°
O5'C5'H5'111.8°109.4°
O5'C5'H5''111.8°109.5°
C4'C5'H5'111.7°109.5°
C4'C5'H5''111.7°109.5°
C5'C4'O4'104.8°110.4°
C5'C4'C3'113.3°110.5°
C5'C4'H4'109.5°110.4°
H5'C5'H5''98.7°109.5°
O4'C4'C3'107.6°104.8°
O4'C4'H4'115.0°110.3°
C4'O4'C1'110.1°105.3°
C3'C4'H4'106.8°110.4°
C4'C3'O3'127.2°110.5°
C4'C3'C2'105.3°104.1°
C4'C3'H3'97.3°110.5°
O4'C1'C2'107.9°104.9°
O4'C1'N9112.8°110.4°
O4'C1'H1'110.0°110.4°
O3'C3'C2'95.0°110.5°
O3'C3'H3'107.2°110.5°
C3'O3'HO3'127.2°106.8°
C2'C3'H3'128.4°110.6°
C3'C2'O2'109.8°110.5°
C3'C2'C1'107.6°104.0°
C3'C2'H2'109.0°110.5°
O2'C2'C1'104.4°110.8°
O2'C2'H2'111.9°110.4°
C2'O2'HO2'109.8°106.8°
C1'C2'H2'114.0°110.4°
C2'C1'N9113.9°110.4°
C2'C1'H1'108.6°110.3°
N9C1'H1'103.4°110.4°
C1'N9C8124.5°126.3°
C1'N9C4129.1°126.2°
C8N9C4106.4°107.4°
N9C8N7114.0°110.0°
N9C8H8125.0°124.9°
N9C4C5104.6°106.0°
N9C4N3127.4°135.0°
N7C8H8121.0°125.0°
C8N7C5103.9°109.5°
N7C5C6132.8°134.7°
N7C5C4111.1°107.1°
C6C5C4116.1°118.2°
C5C6N6123.3°120.8°
C5C6N1116.6°118.4°
C5C4N3128.0°119.1°
N6C6N1120.1°120.8°
C6N6CM6119.9°120.0°
C6N6C10123.6°120.0°
C6N1C2120.1°121.2°
CM6N6C10116.5°120.0°
N6CM6HM61119.8°109.5°
N6CM6HM62108.5°109.5°
N6CM6HM63108.4°109.5°
N6C10O10121.1°120.0°
N6C10N11118.0°120.0°
HM61CM6HM62108.5°109.4°
HM61CM6HM63108.5°109.4°
HM62CM6HM63101.6°109.5°
N1C2N3127.9°122.5°
N1C2H2116.2°118.7°
N3C2H2115.9°118.8°
C2N3C4111.2°120.6°
O10C10N11120.9°119.9°
C10N11C12121.9°120.1°
C10N11HN1114.2°120.0°
C12N11HN1123.9°120.0°
N11C12C13112.1°109.5°
N11C12C14110.7°109.5°
N11C12H12107.2°109.4°
C13C12C14110.5°109.5°
C13C12H12107.3°109.5°
C12C13ODA119.0°120.0°
C12C13ODB117.8°120.0°
C14C12H12108.9°109.5°
C12C14O14116.7°109.5°
C12C14C15121.0°109.5°
C12C14H1492.7°109.5°
ODAC13ODB123.2°120.0°
C13ODBH13117.8°120.0°
O14C14C15103.3°109.5°
O14C14H14114.2°109.5°
C14O14HO4116.6°106.8°
C15C14H14109.0°109.4°
C14C15H151121.0°109.5°
C14C15H152108.1°109.5°
C14C15H153108.1°109.4°
H151C15H152108.0°109.5°
H151C15H153108.1°109.5°
H152C15H153101.9°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OP1POP2OP3125.1°120.1°
OP1POP2O5'123.1°120.0°
OP1POP3O5'114.1°120.0°
OP1POP2HOP2180.0°60.0°
OP1POP3HOP3180.0°180.0°
OP1PO5'C5'177.1°60.0°
OP2POP3O5'118.3°119.9°
OP2POP3HOP352.5°60.0°
OP2PO5'C5'50.5°180.0°
OP3POP2HOP254.9°60.0°
OP3PO5'C5'67.2°60.1°
O5'POP2HOP256.9°180.0°
O5'POP3HOP365.9°60.0°
PO5'C5'C4'146.1°180.0°
PO5'C5'H5'20.9°60.0°
PO5'C5'H5''88.7°60.0°
O5'C5'C4'H5'125.2°120.0°
O5'C5'C4'H5''125.3°120.0°
O5'C5'H5'H5''117.7°120.0°
O5'C5'C4'O4'63.8°61.5°
O5'C5'C4'C3'53.2°176.9°
O5'C5'C4'H4'172.3°60.8°
C4'C5'H5'H5''117.7°120.0°
C5'C4'O4'C3'120.9°119.0°
C5'C4'O4'H4'120.3°122.2°
C5'C4'C3'H4'120.6°122.3°
C5'C4'O4'C1'130.7°159.5°
C5'C4'C3'O3'133.2°98.4°
C5'C4'C3'C2'118.1°142.9°
C5'C4'C3'H3'15.1°24.2°
H5'C5'C4'O4'171.0°178.6°
H5'C5'C4'C3'72.0°63.1°
H5'C5'C4'H4'47.1°59.2°
H5''C5'C4'O4'61.5°58.6°
H5''C5'C4'C3'178.5°56.9°
H5''C5'C4'H4'62.4°179.2°
O4'C4'C3'H4'124.0°118.8°
O4'C4'C3'O3'111.5°142.8°
O4'C4'C3'C2'2.7°24.1°
O4'C4'C3'H3'130.5°94.7°
C4'O4'C1'C2'13.0°40.4°
C4'O4'C1'N9139.8°159.3°
C4'O4'C1'H1'105.4°78.4°
C3'C4'O4'C1'9.9°40.5°
C4'C3'O3'C2'113.6°114.7°
C4'C3'O3'H3'113.6°122.6°
C4'C3'C2'H3'112.6°118.7°
C4'C3'O3'HO3'180.0°180.0°
C4'C3'C2'O2'117.9°118.8°
C4'C3'C2'C1'4.9°0.2°
C4'C3'C2'H2'119.2°118.7°
H4'C4'O4'C1'108.9°78.3°
H4'C4'C3'O3'12.5°24.0°
H4'C4'C3'C2'121.3°94.7°
H4'C4'C3'H3'105.6°146.6°
O4'C1'C2'C3'11.0°23.8°
O4'C1'C2'O2'127.6°142.6°
O4'C1'C2'N9126.1°118.9°
O4'C1'C2'H1'119.3°118.8°
O4'C1'C2'H2'110.0°94.8°
O4'C1'N9H1'118.8°122.3°
O4'C1'N9C833.5°27.0°
O4'C1'N9C4145.2°152.9°
O3'C3'C2'H3'116.6°122.6°
O3'C3'C2'O2'12.9°0.2°
O3'C3'C2'C1'125.9°118.8°
O3'C3'C2'H2'110.0°122.7°
C2'C3'O3'HO3'66.4°65.3°
C3'C2'O2'C1'115.0°114.8°
C3'C2'O2'H2'121.2°122.6°
C3'C2'C1'H2'121.0°118.6°
C3'C2'O2'HO2'180.0°61.4°
C3'C2'C1'N9137.1°142.7°
C3'C2'C1'H1'108.2°95.0°
H3'C3'O3'HO3'66.4°57.4°
H3'C3'C2'O2'129.5°122.5°
H3'C3'C2'C1'117.5°118.5°
H3'C3'C2'H2'6.6°0.0°
O2'C2'C1'H2'122.4°122.7°
O2'C2'C1'N9106.3°98.5°
O2'C2'C1'H1'8.4°23.7°
C1'C2'O2'HO2'64.9°176.2°
C2'C1'N9H1'117.7°122.2°
C2'C1'N9C890.0°88.5°
C2'C1'N9C491.3°91.5°
H2'C2'O2'HO2'58.8°61.1°
H2'C2'C1'N916.1°24.1°
H2'C2'C1'H1'130.8°146.4°
C1'N9C8C4179.0°180.0°
C1'N9C8N7179.0°180.0°
C1'N9C8H81.0°0.0°
C1'N9C4C5179.1°179.8°
C1'N9C4N31.6°0.0°
H1'C1'N9C8152.3°149.3°
H1'C1'N9C426.4°30.7°
N9C8N7H8180.0°180.0°
N9C8N7C50.2°0.2°
C8N9C4C50.2°0.2°
C8N9C4N3179.5°180.0°
C4N9C8N70.0°0.0°
C4N9C8H8180.0°180.0°
N9C4C5N70.3°0.4°
N9C4C5C6179.2°179.7°
N9C4C5N3179.3°179.8°
N9C4N3C2180.0°180.0°
C8N7C5C6179.0°179.6°
C8N7C5C40.3°0.4°
H8C8N7C5179.8°179.8°
N7C5C6C4178.6°179.1°
N7C5C6N60.3°0.7°
N7C5C6N1180.0°179.6°
N7C5C4N3179.6°179.8°
C5C6N6N1179.8°179.7°
C5C6N6CM60.5°0.3°
C5C6N6C10179.7°179.7°
C5C6N1C20.9°0.2°
C6C5C4N31.5°0.5°
C4C5C6N6178.9°179.8°
C4C5C6N11.4°0.5°
C5C4N3C20.9°0.2°
C6N6CM6C10179.3°180.0°
C6N6CM6HM61180.0°174.6°
C6N6CM6HM6254.8°54.6°
C6N6CM6HM6354.8°65.4°
N6C6N1C2179.3°180.0°
C6N6C10O10179.2°5.8°
C6N6C10N111.2°174.2°
N1C6N6CM6179.7°180.0°
N1C6N6C100.5°0.0°
C6N1C2N30.4°0.0°
C6N1C2H2179.6°180.0°
N6CM6HM61HM62125.3°120.1°
N6CM6HM61HM63125.2°120.0°
N6CM6HM62HM63114.1°120.0°
CM6N6C10O100.1°174.1°
CM6N6C10N11179.5°5.8°
C10N6CM6HM610.8°5.4°
C10N6CM6HM62124.5°125.4°
C10N6CM6HM63126.0°114.6°
N6C10O10N11179.6°179.9°
N6C10N11C12179.5°175.0°
N6C10N11HN10.5°5.0°
HM61CM6HM62HM63114.2°119.9°
N1C2N3H2180.0°180.0°
N1C2N3C40.3°0.0°
H2C2N3C4179.7°179.9°
O10C10N11C120.1°5.0°
O10C10N11HN1179.9°175.0°
C10N11C12HN1180.0°180.0°
C10N11C12C13142.1°90.0°
C10N11C12C1494.1°150.0°
C10N11C12H1224.5°30.0°
N11C12C13C14124.0°120.0°
N11C12C13H12117.5°119.9°
N11C12C14H12117.6°119.9°
N11C12C13ODA161.3°150.0°
N11C12C13ODB19.4°30.1°
N11C12C14O1449.9°60.1°
N11C12C14C1577.1°60.0°
N11C12C14H14168.8°180.0°
HN1N11C12C1337.9°90.1°
HN1N11C12C1485.9°30.0°
HN1N11C12H12155.5°149.9°
C13C12C14H12117.6°120.1°
C12C13ODAODB179.3°180.0°
C12C13ODBH13180.0°180.0°
C13C12C14O1474.9°60.0°
C13C12C14C15158.1°180.0°
C13C12C14H1444.0°60.0°
C14C12C13ODA37.3°90.0°
C14C12C13ODB143.3°90.0°
C12C14O14C15135.3°120.0°
C12C14O14H14106.5°120.0°
C12C14C15H14105.4°120.0°
C12C14O14HO4179.9°60.0°
C12C14C15H151179.9°180.0°
C12C14C15H15254.8°59.9°
C12C14C15H15354.7°60.0°
H12C12C13ODA81.3°30.0°
H12C12C13ODB98.1°150.0°
H12C12C14O14167.5°180.0°
H12C12C14C1540.5°59.9°
H12C12C14H1473.6°60.0°
ODAC13ODBH130.7°0.0°
O14C14C15H14121.8°120.0°
O14C14C15H15147.2°60.0°
O14C14C15H152172.4°180.0°
O14C14C15H15378.1°60.0°
C15C14O14HO444.8°60.0°
C14C15H151H152125.2°120.0°
C14C15H151H153125.3°120.0°
C14C15H152H153113.8°120.0°
H14C14O14HO473.4°180.0°
H14C14C15H15174.6°60.0°
H14C14C15H15250.6°60.0°
H14C14C15H153160.1°180.0°
H151C15H152H153113.7°120.0°

225946

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