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63R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CMO2sing1.43Å1.38Å
CMCNsing1.53Å1.54Å
O2CLsing1.43Å1.39Å
CLCKsing1.53Å1.53Å
CNN2sing1.47Å1.46Å
CKN2sing1.47Å1.47Å
N2CHsing1.39Å1.48Å
CBCCsing1.53Å1.49Å
CBCAsing1.53Å1.54Å
CICHdoub1.39Å1.39ÅAromatic
CICJsing1.38Å1.40ÅAromatic
CHCGsing1.39Å1.39ÅAromatic
CCC9sing1.53Å1.47Å
CJCEdoub1.40Å1.38ÅAromatic
OXC2doub1.21Å1.18Å
CAN1sing1.47Å1.50Å
CGCFdoub1.38Å1.39ÅAromatic
C9NXsing1.46Å1.51Å
C9C0sing1.53Å1.53Å
CECFsing1.40Å1.40ÅAromatic
CECDsing1.48Å1.57Å
C2NXsing1.35Å1.47Å
C2C1sing1.51Å1.53Å
N1CDsing1.35Å1.49Å
N1C0sing1.47Å1.49Å
NXC3sing1.40Å1.51Å
CDO1doub1.22Å1.19Å
C8C3doub1.39Å1.40ÅAromatic
C8C7sing1.38Å1.40ÅAromatic
C3C4sing1.39Å1.40ÅAromatic
C7C6doub1.38Å1.39ÅAromatic
C4C5doub1.38Å1.40ÅAromatic
C6C5sing1.38Å1.40ÅAromatic
CAH1sing1.09Å1.10Å
CAH2sing1.09Å1.10Å
CBH3sing1.09Å1.10Å
CBH4sing1.09Å1.10Å
CGH5sing1.08Å1.08Å
C0H6sing1.09Å1.10Å
C0H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C1H10sing1.09Å1.10Å
C4H11sing1.08Å1.08Å
C5H12sing1.08Å1.08Å
C6H13sing1.08Å1.08Å
C7H14sing1.08Å1.08Å
C8H15sing1.08Å1.08Å
C9H16sing1.09Å1.10Å
CCH17sing1.09Å1.10Å
CCH18sing1.09Å1.10Å
CFH19sing1.08Å1.08Å
CIH20sing1.08Å1.08Å
CJH21sing1.08Å1.08Å
CKH22sing1.09Å1.10Å
CKH23sing1.09Å1.10Å
CLH24sing1.09Å1.10Å
CLH25sing1.09Å1.10Å
CMH26sing1.09Å1.10Å
CMH27sing1.09Å1.10Å
CNH28sing1.09Å1.10Å
CNH29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2CMCN112.8°109.3°
CMO2CL112.8°113.7°
O2CMH26108.6°109.5°
O2CMH27108.6°109.5°
CMCNN2114.2°109.3°
CNCMH26108.6°109.5°
CNCMH27108.6°109.5°
CMCNH28108.3°109.5°
CMCNH29108.3°109.5°
O2CLCK113.8°109.3°
O2CLH24108.4°109.5°
O2CLH25108.4°109.5°
CLCKN2113.8°109.2°
CLCKH22108.3°109.5°
CLCKH23108.4°109.5°
CKCLH24108.4°109.5°
CKCLH25108.3°109.5°
CNN2CK111.7°110.8°
CNN2CH121.3°111.0°
N2CNH28108.3°109.5°
N2CNH29108.3°109.5°
CKN2CH120.3°111.0°
N2CKH22108.4°109.5°
N2CKH23108.4°109.6°
N2CHCI120.0°119.9°
N2CHCG119.3°120.0°
CCCBCA114.8°109.3°
CBCCC9110.6°109.5°
CCCBH3108.1°109.5°
CCCBH4108.1°109.5°
CBCCH17109.2°109.4°
CBCCH18109.2°109.4°
CBCAN1114.4°108.8°
CBCAH1108.2°109.6°
CBCAH2108.2°109.7°
CACBH3108.1°109.5°
CACBH4108.1°109.5°
CHCICJ119.7°120.1°
CICHCG120.6°120.1°
CHCIH20120.2°120.0°
CICJCE119.6°119.9°
CJCIH20120.2°119.9°
CICJH21120.2°120.0°
CHCGCF119.8°120.1°
CHCGH5120.1°119.9°
CCC9NX112.9°109.5°
CCC9C0109.1°109.3°
CCC9H16109.1°109.6°
C9CCH17109.2°109.5°
C9CCH18109.2°109.5°
CJCECF120.8°119.8°
CJCECD119.9°120.1°
CECJH21120.2°120.0°
OXC2NX119.6°120.0°
OXC2C1119.6°120.1°
CAN1CD126.0°120.6°
CAN1C0111.2°118.7°
N1CAH1108.2°109.6°
N1CAH2108.2°109.6°
CGCFCE119.5°119.9°
CFCGH5120.1°120.0°
CGCFH19120.2°120.1°
NXC9C0108.8°109.5°
C9NXC2117.8°120.0°
C9NXC3119.1°120.0°
NXC9H16108.6°109.5°
C9C0N1106.6°108.8°
C9C0H6110.2°109.6°
C9C0H7110.2°109.6°
C0C9H16108.3°109.5°
CFCECD119.3°120.1°
CECFH19120.2°120.0°
CECDN1119.5°120.0°
CECDO1120.7°120.0°
NXC2C1120.8°120.0°
C2NXC3123.0°120.0°
C2C1H8109.5°109.5°
C2C1H9109.4°109.5°
C2C1H10109.4°109.5°
CDN1C0122.8°120.6°
N1CDO1119.8°120.0°
N1C0H6110.2°109.6°
N1C0H7110.2°109.7°
NXC3C8120.4°120.1°
NXC3C4120.4°120.1°
C3C8C7120.3°119.9°
C8C3C4119.2°119.8°
C3C8H15119.8°120.0°
C8C7C6120.3°120.1°
C8C7H14119.8°119.9°
C7C8H15119.9°120.0°
C3C4C5120.5°120.0°
C3C4H11119.8°120.0°
C7C6C5119.7°120.2°
C7C6H13120.2°119.9°
C6C7H14119.9°120.0°
C4C5C6120.1°120.0°
C5C4H11119.8°120.0°
C4C5H12120.0°120.0°
C6C5H12120.0°120.0°
C5C6H13120.2°119.9°
H1CAH2109.5°109.6°
H3CBH4109.5°109.5°
H6C0H7109.5°109.6°
H8C1H9109.5°109.5°
H8C1H10109.5°109.4°
H9C1H10109.5°109.5°
H17CCH18109.5°109.4°
H22CKH23109.5°109.5°
H24CLH25109.5°109.5°
H26CMH27109.5°109.6°
H28CNH29109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2CMCNH26120.5°119.9°
O2CMCNH27120.5°119.9°
CMO2CLCK50.6°58.7°
O2CMCNN212.1°56.8°
CMO2CLH24171.3°61.3°
CMO2CLH2570.0°178.6°
O2CMH26H27118.5°120.1°
O2CMCNH28132.8°176.7°
O2CMCNH29108.5°63.1°
CNCMO2CL58.6°58.7°
CMCNN2H28120.7°119.9°
CMCNN2H29120.7°119.9°
CMCNN2CK38.6°58.6°
CMCNN2CH112.7°177.6°
CNCMH26H27118.5°120.1°
CMCNH28H29117.9°120.2°
O2CLCKH24120.6°120.0°
O2CLCKH25120.6°120.0°
O2CLCKN23.1°56.8°
O2CLCKH22123.7°63.0°
O2CLCKH23117.5°176.8°
O2CLH24H25118.0°120.1°
CLO2CMH2661.9°178.6°
CLO2CMH27179.1°61.3°
CLCKN2CN46.3°58.6°
CLCKN2H22120.6°119.9°
CLCKN2H23120.7°120.0°
CLCKN2CH105.3°177.6°
CLCKH22H23118.1°120.1°
CKCLH24H25118.0°120.1°
CNN2CKCH151.6°123.8°
CNN2CHCI2.9°123.6°
CNN2CHCG176.7°56.3°
CNN2CKH22166.9°61.3°
CNN2CKH2374.4°178.6°
N2CNCMH26108.3°176.8°
N2CNCMH27132.6°63.1°
N2CNH28H29117.9°120.1°
CKN2CHCI151.8°0.1°
CKN2CHCG27.8°180.0°
N2CKH22H23118.0°120.2°
N2CKCLH24117.5°63.1°
N2CKCLH25123.7°176.8°
CKN2CNH2882.1°178.6°
CKN2CNH29159.3°61.3°
N2CHCICG179.6°179.9°
N2CHCICJ179.8°179.9°
N2CHCGCF179.8°180.0°
N2CHCGH50.2°0.4°
N2CHCIH200.2°0.0°
CHN2CKH2215.3°62.5°
CHN2CKH23134.1°57.6°
CHN2CNH28126.7°57.7°
CHN2CNH298.0°62.5°
CCCBCAH3120.8°119.9°
CCCBCAH4120.7°120.0°
CBCCC9H17120.2°120.0°
CBCCC9H18120.2°120.0°
CCCBCAN137.8°54.6°
CBCCC9NX177.4°178.7°
CBCCC9C061.6°61.4°
CCCBCAH183.0°65.2°
CCCBCAH2158.5°174.5°
CCCBH3H4117.6°120.1°
CBCCC9H1656.6°58.6°
CBCCH17H18119.5°119.9°
CACBCCC945.3°61.4°
CBCAN1H1120.7°119.8°
CBCAN1H2120.7°119.9°
CBCAN1CD132.7°126.4°
CBCAN1C046.1°53.7°
CBCAH1H2117.7°120.4°
CACBH3H4117.6°120.1°
CACBCCH17165.5°178.6°
CACBCCH1874.9°58.7°
CHCICJH20180.0°180.0°
CHCICJCE0.0°0.2°
CICHCGCF0.2°0.1°
CICHCGH5179.8°179.7°
CHCICJH21180.0°179.9°
CJCICHCG0.2°0.0°
CICJCEH21180.0°179.8°
CICJCECF0.2°0.5°
CICJCECD180.0°180.0°
CHCGCFH5180.0°179.7°
CHCGCFCE0.1°0.3°
CHCGCFH19179.9°179.7°
CGCHCIH20179.8°179.9°
CCC9NXC0121.2°119.8°
CCC9NXH16121.1°120.1°
CCC9C0H16118.6°120.0°
CCC9NXC296.6°63.5°
CCC9C0N169.9°54.7°
CCC9NXC384.8°116.5°
C9CCCBH3166.1°58.6°
C9CCCBH475.5°178.6°
CCC9C0H6170.5°174.4°
CCC9C0H749.6°65.3°
C9CCH17H18119.4°120.0°
CJCECFCG0.1°0.5°
CJCECFCD179.9°179.5°
CJCECDN196.8°46.5°
CJCECDO183.8°133.5°
CJCECFH19179.9°179.5°
CECJCIH20180.0°179.7°
OXC2NXC90.9°5.2°
OXC2NXC1179.5°180.0°
OXC2NXC3179.5°174.8°
OXC2C1H80.0°85.4°
OXC2C1H9120.0°34.6°
OXC2C1H10120.0°154.6°
CAN1C0C960.9°53.7°
CAN1CDCE1.0°4.5°
CAN1CDC0178.7°180.0°
CAN1CDO1179.6°175.4°
N1CAH1H2117.8°120.3°
N1CACBH3158.5°65.3°
N1CACBH483.0°174.6°
CAN1C0H6179.6°173.4°
CAN1C0H758.7°66.2°
CGCFCEH19180.0°180.0°
CGCFCECD180.0°180.0°
NXC9C0H16117.9°120.1°
C9NXC2C3178.6°180.0°
C9NXC2C1179.6°174.8°
NXC9C0N1166.6°174.6°
C9NXC3C874.9°122.4°
C9NXC3C4103.8°57.3°
NXC9C0H647.0°65.6°
NXC9C0H773.8°54.6°
NXC9CCH1757.2°58.7°
NXC9CCH1862.4°61.3°
C0C9NXC2142.2°56.3°
C9C0N1CD118.0°126.3°
C9C0N1H6119.5°119.7°
C9C0N1H7119.6°119.9°
C0C9NXC336.4°123.7°
C9C0H6H7121.3°120.3°
C0C9CCH17178.2°178.6°
C0C9CCH1858.6°58.6°
CFCECDN183.1°134.0°
CFCECDO196.4°46.1°
CECFCGH5179.9°180.0°
CFCECJH21179.8°179.7°
CECDN1O1179.4°179.9°
CECDN1C0179.7°175.5°
CDCECFH190.0°0.0°
CDCECJH210.0°0.2°
C2NXC3C8106.6°57.5°
C2NXC3C474.7°122.7°
NXC2C1H8179.5°94.6°
NXC2C1H959.5°145.4°
NXC2C1H1060.5°25.4°
C2NXC9H1624.5°176.4°
C1C2NXC31.0°5.2°
C2C1H8H9120.0°120.0°
C2C1H8H10120.0°120.0°
C2C1H9H10119.9°120.1°
CDN1CAH1106.5°113.8°
CDN1CAH212.0°6.5°
CDN1C0H61.5°6.6°
CDN1C0H7122.4°113.7°
C0N1CDO10.8°4.5°
C0N1CAH174.6°66.2°
C0N1CAH2166.8°173.5°
N1C0H6H7121.3°120.5°
N1C0C9H1648.7°65.3°
NXC3C8C4178.7°179.7°
NXC3C8C7179.5°179.8°
NXC3C4C5179.3°179.7°
NXC3C4H110.7°0.3°
NXC3C8H150.5°0.3°
C3NXC9H16154.1°3.7°
C3C8C7H15180.0°179.9°
C3C8C7C60.6°0.0°
C8C3C4C50.6°0.0°
C8C3C4H11179.4°180.0°
C3C8C7H14179.5°180.0°
C7C8C3C40.8°0.0°
C8C7C6H14180.0°180.0°
C8C7C6C50.1°0.0°
C8C7C6H13179.9°180.0°
C3C4C5H11180.0°180.0°
C3C4C5C60.2°0.0°
C3C4C5H12179.8°180.0°
C4C3C8H15179.2°180.0°
C7C6C5C40.1°0.0°
C7C6C5H13180.0°180.0°
C7C6C5H12179.9°180.0°
C6C7C8H15179.4°180.0°
C4C5C6H12180.0°180.0°
C4C5C6H13179.9°180.0°
C6C5C4H11179.8°180.0°
C5C6C7H14179.9°180.0°
H1CACBH337.8°174.9°
H1CACBH4156.3°54.8°
H2CACBH380.7°54.5°
H2CACBH437.7°65.5°
H3CBCCH1773.8°61.4°
H3CBCCH1845.9°178.6°
H4CBCCH1744.7°58.6°
H4CBCCH18164.4°61.3°
H5CGCFH190.1°0.1°
H6C0C9H1670.9°54.4°
H7C0C9H16168.3°174.7°
H8C1H9H10120.0°120.0°
H11C4C5H120.2°0.1°
H12C5C6H130.1°0.0°
H13C6C7H140.1°0.0°
H14C7C8H150.5°0.0°
H16C9CCH1763.6°61.4°
H16C9CCH18176.8°178.6°
H20CICJH210.0°0.1°
H22CKCLH243.1°177.0°
H22CKCLH25115.6°56.9°
H23CKCLH24121.8°56.9°
H23CKCLH253.1°63.2°
H26CMCNH2812.4°63.3°
H26CMCNH29131.0°56.9°
H27CMCNH28106.7°56.8°
H27CMCNH2912.0°177.0°

223532

PDB entries from 2024-08-07

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