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THC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1CNsing1.35Å1.33Å
N1CAsing1.46Å1.46Å
N1HNsing0.97Å1.02Å
CNONdoub1.21Å1.23Å
CNCMsing1.51Å1.52Å
CMHM1sing1.09Å1.11Å
CMHM2sing1.09Å1.11Å
CMHM3sing1.09Å1.12Å
CACBsing1.53Å1.56Å
CACsing1.51Å1.53Å
CAHAsing1.09Å1.11Å
CBOG1sing1.43Å1.43Å
CBCG2sing1.53Å1.53Å
CBHBsing1.09Å1.12Å
OG1HG1sing0.97Å0.95Å
CG2HG21sing1.09Å1.12Å
CG2HG22sing1.09Å1.12Å
CG2HG23sing1.09Å1.11Å
COdoub1.21Å1.23Å
COXTsing1.34Å1.32Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CNN1CA121.8°120.0°
CNN1HN114.2°120.0°
N1CNON123.1°120.0°
N1CNCM116.0°120.1°
CAN1HN123.9°120.0°
N1CACB111.5°109.4°
N1CAC112.0°109.5°
N1CAHA105.9°109.4°
ONCNCM121.0°120.0°
CNCMHM1115.9°109.5°
CNCMHM2109.9°109.4°
CNCMHM3109.8°109.5°
HM1CMHM2109.9°109.5°
HM1CMHM3109.8°109.5°
HM2CMHM3100.3°109.4°
CBCAC108.2°109.5°
CBCAHA109.8°109.5°
CACBOG1109.7°109.5°
CACBCG2111.3°109.5°
CACBHB107.9°109.5°
CCAHA109.4°109.5°
CACO121.3°120.0°
CACOXT115.6°120.0°
OG1CBCG2109.0°109.5°
OG1CBHB110.3°109.4°
CBOG1HG1109.7°106.8°
CG2CBHB108.6°109.5°
CBCG2HG21111.3°109.5°
CBCG2HG22111.5°109.5°
CBCG2HG23111.5°109.5°
HG21CG2HG22111.5°109.5°
HG21CG2HG23111.5°109.4°
HG22CG2HG2398.9°109.5°
OCOXT123.1°120.0°
COXTHXT115.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CNN1CAHN179.9°179.8°
N1CNONCM179.7°179.8°
N1CNCMHM1180.0°179.9°
N1CNCMHM254.7°60.0°
N1CNCMHM354.8°59.9°
CNN1CACB89.0°150.1°
CNN1CAC149.5°89.9°
CNN1CAHA30.4°30.1°
CAN1CNON0.3°0.2°
CAN1CNCM180.0°180.0°
N1CACBC123.7°120.0°
N1CACBHA117.0°119.9°
N1CACHA117.1°120.0°
N1CACBOG162.7°60.1°
N1CACBCG2176.6°60.0°
N1CACBHB57.5°180.0°
N1CACO44.2°150.0°
N1CACOXT133.6°30.0°
HNN1CNON179.8°180.0°
HNN1CNCM0.1°0.2°
HNN1CACB90.9°30.1°
HNN1CAC30.5°89.9°
HNN1CAHA149.7°150.1°
ONCNCMHM10.3°0.1°
ONCNCMHM2125.0°120.1°
ONCNCMHM3125.5°119.9°
CNCMHM1HM2125.3°120.0°
CNCMHM1HM3125.2°120.1°
CNCMHM2HM3115.6°120.0°
HM1CMHM2HM3115.6°120.0°
CBCACHA119.6°120.0°
CACBOG1CG2122.1°120.0°
CACBOG1HB118.7°120.0°
CACBCG2HB118.7°120.0°
CACBOG1HG1180.0°60.0°
CACBCG2HG21180.0°180.0°
CACBCG2HG2254.8°60.0°
CACBCG2HG2354.8°60.1°
CBCACO79.1°90.0°
CBCACOXT103.0°90.0°
CCACBOG1173.6°60.0°
CCACBCG252.9°180.0°
CCACBHB66.2°60.0°
CACOOXT177.7°180.0°
CACOXTHXT179.9°180.0°
HACACBOG154.3°180.0°
HACACBCG266.4°60.0°
HACACBHB174.5°60.1°
HACACO161.3°30.0°
HACACOXT16.6°150.0°
OG1CBCG2HB120.1°119.9°
OG1CBCG2HG2158.8°60.0°
OG1CBCG2HG22175.9°180.0°
OG1CBCG2HG2366.4°60.0°
CG2CBOG1HG157.8°60.0°
CBCG2HG21HG22125.3°120.0°
CBCG2HG21HG23125.3°120.0°
CBCG2HG22HG23117.5°120.0°
HBCBOG1HG161.3°180.0°
HBCBCG2HG2161.3°60.0°
HBCBCG2HG2263.9°60.0°
HBCBCG2HG23173.5°179.9°
HG21CG2HG22HG23117.4°120.0°
OCOXTHXT2.2°0.0°

221051

PDB entries from 2024-06-12

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