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JIE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CD2CGsing1.53Å1.52Å
O3'C3'sing1.43Å1.42Å
CGCBsing1.53Å1.52Å
CGCD1sing1.53Å1.52Å
C4'C3'sing1.54Å1.54Å
C4'O4'sing1.44Å1.45Å
C4'C5'sing1.53Å1.51Å
C3'C2'sing1.55Å1.53Å
CBCAsing1.53Å1.53Å
O4'C1'sing1.44Å1.41Å
C5'O5'sing1.43Å1.47Å
C1'C2'sing1.55Å1.53Å
C1'N9sing1.47Å1.46Å
C3C2doub1.37Å1.38ÅAromatic
C3C4sing1.39Å1.39ÅAromatic
O2'C2'sing1.43Å1.42Å
C2N1sing1.32Å1.34ÅAromatic
CANsing1.47Å1.47Å
CACsing1.51Å1.55Å
C4N9sing1.37Å1.39ÅAromatic
C4C5doub1.40Å1.40ÅAromatic
N9C8sing1.36Å1.37ÅAromatic
O5'Ssing1.52Å1.60Å
CN3Ssing1.35Å1.42Å
COdoub1.21Å1.23Å
N3SSsing1.66Å1.60Å
N1C6doub1.32Å1.36ÅAromatic
O2SSdoub1.42Å1.42Å
SO1Sdoub1.42Å1.42Å
C5C6sing1.40Å1.41ÅAromatic
C5N7sing1.36Å1.40ÅAromatic
C8N7doub1.30Å1.31ÅAromatic
C6N6sing1.39Å1.34Å
NH1sing1.01Å1.00Å
NH2sing1.01Å1.00Å
CAH4sing1.09Å1.10Å
CBH5sing1.09Å1.10Å
CBH6sing1.09Å1.10Å
CGH7sing1.09Å1.10Å
CD1H8sing1.09Å1.10Å
CD1H9sing1.09Å1.10Å
CD1H10sing1.09Å1.10Å
CD2H11sing1.09Å1.10Å
CD2H12sing1.09Å1.10Å
CD2H13sing1.09Å1.10Å
C1'H14sing1.09Å1.10Å
C2H15sing1.08Å1.08Å
C2'H16sing1.09Å1.10Å
C3H17sing1.08Å1.08Å
C3'H18sing1.09Å1.10Å
C4'H19sing1.09Å1.10Å
C5'H20sing1.09Å1.10Å
C5'H21sing1.09Å1.10Å
C8H22sing1.08Å1.08Å
N3SH23sing0.97Å1.00Å
N6H24sing0.97Å1.00Å
N6H25sing0.97Å1.00Å
O2'H26sing0.97Å0.95Å
O3'H27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CD2CGCB111.7°109.5°
CD2CGCD1110.6°109.5°
CD2CGH7107.8°109.5°
CGCD2H11109.5°109.4°
CGCD2H12109.5°109.5°
CGCD2H13109.5°109.4°
O3'C3'C4'111.6°110.6°
O3'C3'C2'110.3°110.5°
O3'C3'H18111.6°110.5°
C3'O3'H27109.5°114.0°
CBCGCD1111.1°109.5°
CGCBCA112.9°109.5°
CGCBH5108.6°109.5°
CGCBH6108.6°109.4°
CBCGH7107.7°109.4°
CD1CGH7107.8°109.5°
CGCD1H8109.5°109.4°
CGCD1H9109.5°109.5°
CGCD1H10109.5°109.5°
C3'C4'O4'106.4°107.4°
C3'C4'C5'115.0°109.8°
C4'C3'C2'103.1°104.1°
C4'C3'H18109.9°110.5°
C3'C4'H19108.2°109.9°
O4'C4'C5'109.3°109.9°
C4'O4'C1'109.6°106.9°
O4'C4'H19109.4°109.9°
C4'C5'O5'106.9°109.5°
C5'C4'H19108.5°109.9°
C4'C5'H20110.1°109.5°
C4'C5'H21110.1°109.4°
C3'C2'C1'101.2°102.1°
C3'C2'O2'113.1°110.9°
C3'C2'H16110.2°110.9°
C2'C3'H18110.0°110.5°
CBCAN111.9°109.5°
CBCAC111.2°109.4°
CBCAH4108.6°109.5°
CACBH5108.6°109.5°
CACBH6108.6°109.5°
O4'C1'C2'105.4°103.5°
O4'C1'N9108.7°110.6°
O4'C1'H14110.6°110.8°
C5'O5'S118.3°114.0°
O5'C5'H20110.1°109.5°
O5'C5'H21110.1°109.4°
C2'C1'N9113.2°110.6°
C1'C2'O2'110.0°110.9°
C2'C1'H14108.9°110.7°
C1'C2'H16110.1°110.9°
C1'N9C4126.0°126.4°
C1'N9C8127.4°126.3°
N9C1'H14109.9°110.6°
C2C3C4114.8°119.1°
C3C2N1124.3°121.5°
C3C2H15117.9°119.3°
C2C3H17122.6°120.4°
C3C4N9132.1°135.2°
C3C4C5122.6°118.7°
C4C3H17122.6°120.5°
O2'C2'H16111.8°110.8°
C2'O2'H26109.5°114.0°
C2N1C6121.1°122.3°
N1C2H15117.8°119.2°
NCAC107.4°109.5°
CANH1109.5°111.0°
CANH2109.5°111.0°
NCAH4109.4°109.5°
CACN3S119.0°120.0°
CACO123.5°120.0°
CCAH4108.4°109.5°
N9C4C5105.2°106.2°
C4N9C8106.0°107.3°
C4C5C6118.8°118.6°
C4C5N7110.6°107.0°
N9C8N7114.5°110.0°
N9C8H22122.8°125.1°
O5'SN3S106.4°107.2°
O5'SO2S107.2°106.4°
O5'SO1S105.2°106.4°
N3SCO117.5°120.0°
CN3SS125.9°120.0°
CN3SH23117.0°120.0°
N3SSO2S104.7°106.4°
N3SSO1S111.4°106.4°
SN3SH23117.1°120.1°
N1C6C5118.4°120.0°
N1C6N6118.1°120.0°
O2SSO1S121.2°123.1°
C6C5N7130.6°134.5°
C5C6N6123.5°120.0°
C5N7C8103.7°109.6°
N7C8H22122.8°125.0°
C6N6H24109.5°120.0°
C6N6H25109.5°120.0°
H1NH2109.5°111.0°
H5CBH6109.5°109.5°
H8CD1H9109.5°109.5°
H8CD1H10109.4°109.5°
H9CD1H10109.5°109.5°
H11CD2H12109.4°109.5°
H11CD2H13109.5°109.5°
H12CD2H13109.4°109.5°
H20C5'H21109.5°109.4°
H24N6H25109.4°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CD2CGCBCD1124.0°120.0°
CD2CGCBH7118.2°120.0°
CD2CGCD1H7117.6°120.0°
CD2CGCBCA172.2°65.8°
CD2CGCBH567.3°174.1°
CD2CGCBH651.7°54.2°
CD2CGCD1H8180.0°62.6°
CD2CGCD1H960.0°57.4°
CD2CGCD1H1060.0°177.4°
CGCD2H11H12120.0°120.0°
CGCD2H11H13120.0°120.0°
CGCD2H12H13120.0°120.0°
O3'C3'C4'C2'118.4°118.7°
O3'C3'C4'H18124.3°122.7°
O3'C3'C4'O4'100.9°120.8°
O3'C3'C4'C5'138.1°119.8°
O3'C3'C2'H18123.5°122.6°
O3'C3'C2'C1'86.7°97.9°
O3'C3'C2'O2'30.9°20.3°
O3'C3'C2'H16156.9°143.9°
O3'C3'C4'H1916.6°1.2°
CBCGCD1H7117.8°120.0°
CGCBCAH5120.5°120.0°
CGCBCAH6120.5°120.0°
CGCBCAN70.7°63.3°
CGCBCAC169.2°176.7°
CGCBCAH450.1°56.7°
CGCBH5H6118.4°119.9°
CBCGCD1H855.4°57.4°
CBCGCD1H9175.4°177.4°
CBCGCD1H1064.6°62.6°
CBCGCD2H11180.0°60.0°
CBCGCD2H1260.0°180.0°
CBCGCD2H1360.0°60.0°
CD1CGCBCA63.8°174.2°
CD1CGCBH556.7°54.1°
CD1CGCBH6175.7°65.8°
CGCD1H8H9120.0°120.0°
CGCD1H8H10120.0°120.0°
CGCD1H9H10120.0°120.0°
CD1CGCD2H1155.7°180.0°
CD1CGCD2H12175.7°60.0°
CD1CGCD2H1364.3°60.0°
C3'C4'O4'C5'124.7°119.4°
C3'C4'O4'H19116.7°119.5°
C3'C4'C5'H19121.3°121.1°
C4'C3'C2'H18117.2°118.7°
C3'C4'O4'C1'6.6°26.6°
C3'C4'C5'O5'53.5°175.0°
C4'C3'C2'C1'32.6°20.9°
C4'C3'C2'O2'150.2°139.1°
C4'C3'C2'H1683.8°97.4°
C3'C4'C5'H20173.1°54.9°
C3'C4'C5'H2166.1°65.0°
C4'C3'O3'H27180.0°176.2°
O4'C4'C5'H19119.2°121.1°
O4'C4'C3'C2'17.5°2.1°
O4'C4'C5'O5'66.0°67.1°
C4'O4'C1'C2'28.2°40.1°
C4'O4'C1'N9149.9°158.6°
C4'O4'C1'H1489.3°78.5°
O4'C4'C3'H18134.8°116.6°
O4'C4'C5'H2053.6°172.8°
O4'C4'C5'H21174.4°52.9°
C5'C4'C3'C2'103.5°121.5°
C5'C4'O4'C1'131.3°146.0°
C4'C5'O5'H20119.6°120.1°
C4'C5'O5'H21119.6°120.0°
C4'C5'O5'S170.9°180.0°
C5'C4'C3'H1813.8°2.8°
C4'C5'H20H21121.2°120.0°
C3'C2'C1'O4'38.0°37.1°
C3'C2'C1'O2'119.9°118.2°
C3'C2'C1'H16116.5°118.2°
C3'C2'C1'N9156.7°155.5°
C3'C2'O2'H16125.1°123.6°
C3'C2'C1'H1480.7°81.6°
C2'C3'C4'H19135.0°117.4°
C3'C2'O2'H26180.0°67.2°
C2'C3'O3'H2766.0°61.4°
CBCANC122.3°119.9°
CBCANH4120.3°120.0°
CBCACH4119.2°120.0°
CBCACN3S107.5°80.0°
CBCACO72.7°100.0°
CBCANH1180.0°176.0°
CBCANH260.0°60.0°
CACBH5H6118.4°120.1°
CACBCGH754.0°54.2°
O4'C1'C2'N9118.8°118.5°
O4'C1'C2'H14118.7°118.7°
O4'C1'N9H14121.2°123.1°
O4'C1'C2'O2'157.8°155.3°
O4'C1'N9C4122.2°161.0°
O4'C1'N9C867.3°19.0°
O4'C1'C2'H1678.6°81.2°
C1'O4'C4'H19110.1°93.0°
C5'O5'SN3S55.2°75.0°
C5'O5'SO2S56.3°171.4°
C5'O5'SO1S173.4°38.5°
O5'C5'C4'H19174.8°54.0°
O5'C5'H20H21121.2°120.0°
C2'C1'N9H14122.0°122.9°
C1'C2'O2'H16122.6°123.7°
C2'C1'N9C4121.0°85.0°
C2'C1'N9C849.5°95.0°
C1'C2'C3'H18149.8°139.6°
C1'C2'O2'H2667.7°180.0°
C1'N9C4C36.2°0.1°
N9C1'C2'O2'83.4°86.3°
C1'N9C4C8172.1°180.0°
C1'N9C4C5170.5°180.0°
C1'N9C8N7170.3°180.0°
N9C1'C2'H1640.2°37.3°
C1'N9C8H229.7°0.0°
C2C3C4H17180.0°179.9°
C3C2N1H15180.0°179.8°
C2C3C4N9174.8°180.0°
C2C3C4C51.4°0.0°
C3C2N1C60.1°0.1°
C4C3C2N11.1°0.1°
C3C4N9C5176.6°179.9°
C3C4N9C8178.3°180.0°
C3C4C5C60.7°0.0°
C3C4C5N7178.2°180.0°
C4C3C2H15178.9°179.7°
O2'C2'C1'H1439.1°36.6°
O2'C2'C3'H1892.6°102.3°
C2N1C6C50.7°0.1°
C2N1C6N6178.6°180.0°
N1C2C3H17178.9°180.0°
NCACH4118.1°120.0°
NCACN3S15.2°160.0°
NCACO164.6°19.9°
CANH1H2120.0°124.0°
NCACBH5168.8°56.7°
NCACBH649.8°176.7°
CACN3SO179.8°179.9°
CACN3SS175.8°180.0°
CCANH157.7°64.0°
CCANH262.3°60.0°
CCACBH548.7°63.2°
CCACBH670.3°56.8°
CACN3SH234.2°0.1°
N9C4C5C6176.3°180.0°
N9C4C5N71.2°0.0°
C4N9C8N71.7°0.1°
C4N9C1'H141.0°37.9°
N9C4C3H175.2°0.1°
C4N9C8H22178.3°180.0°
C5C4N9C81.6°0.0°
C4C5C6N10.4°0.0°
C4C5C6N7176.9°180.0°
C4C5N7C80.2°0.0°
C4C5C6N6178.1°180.0°
C5C4C3H17178.6°180.0°
N9C8N7C50.9°0.0°
N9C8N7H22180.0°179.9°
C8N9C1'H14171.5°142.1°
O5'SN3SC69.7°65.0°
O5'SN3SO2S113.3°113.6°
O5'SN3SO1S114.1°113.5°
O5'SO2SO1S120.6°122.9°
SO5'C5'H2069.5°59.9°
SO5'C5'H2151.3°60.0°
O5'SN3SH23110.3°115.0°
CN3SSH23180.0°180.0°
CN3SSO2S177.1°48.5°
CN3SSO1S44.5°178.5°
N3SCCAH4133.3°39.9°
OCN3SS4.0°0.1°
OCCAH446.5°140.0°
OCN3SH23176.0°180.0°
N3SSO2SO1S126.8°122.9°
N1C6C5N6177.7°179.9°
N1C6C5N7176.5°179.9°
C6N1C2H15180.0°179.7°
N1C6N6H240.0°180.0°
N1C6N6H25120.0°0.1°
O2SSN3SH233.0°131.4°
O1SSN3SH23135.6°1.5°
C6C5N7C8176.9°180.0°
C5C6N6H24177.7°0.0°
C5C6N6H2562.3°180.0°
N7C5C6N61.2°0.0°
C5N7C8H22179.0°180.0°
C6N6H24H25120.0°180.0°
H1NCAH459.7°56.0°
H2NCAH4179.7°180.0°
H4CACBH570.4°176.8°
H4CACBH6170.6°63.2°
H5CBCGH7174.5°65.9°
H6CBCGH766.5°174.2°
H7CGCD1H862.4°177.4°
H7CGCD1H957.6°62.6°
H7CGCD1H10177.6°57.4°
H7CGCD2H1161.8°60.0°
H7CGCD2H1258.2°60.0°
H7CGCD2H13178.1°180.0°
H8CD1H9H10120.0°120.0°
H11CD2H12H13120.0°120.1°
H14C1'C2'H16162.7°160.1°
H15C2C3H171.1°0.2°
H16C2'C3'H1833.3°21.3°
H16C2'O2'H2654.9°56.4°
H18C3'C4'H19107.7°123.9°
H18C3'O3'H2756.6°61.1°
H19C4'C5'H2065.6°66.1°
H19C4'C5'H2155.2°173.9°

224931

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