HE4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAC | sing | 1.53Å | 1.53Å | |
| CAA | HAA1 | sing | 1.09Å | 1.12Å | |
| CAA | HAA2 | sing | 1.09Å | 1.12Å | |
| CAA | HAA3 | sing | 1.09Å | 1.12Å | |
| CAC | CAE | sing | 1.53Å | 1.53Å | |
| CAC | HAC1 | sing | 1.09Å | 1.12Å | |
| CAC | HAC2 | sing | 1.09Å | 1.12Å | |
| CAE | CAG | sing | 1.53Å | 1.53Å | |
| CAE | HAE1 | sing | 1.09Å | 1.12Å | |
| CAE | HAE2 | sing | 1.09Å | 1.12Å | |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAG | HAG1 | sing | 1.09Å | 1.11Å | |
| CAG | HAG2 | sing | 1.09Å | 1.12Å | |
| CAH | CAF | sing | 1.53Å | 1.53Å | |
| CAH | HAH1 | sing | 1.09Å | 1.12Å | |
| CAH | HAH2 | sing | 1.09Å | 1.11Å | |
| CAF | CAD | sing | 1.53Å | 1.53Å | |
| CAF | HAF1 | sing | 1.09Å | 1.11Å | |
| CAF | HAF2 | sing | 1.09Å | 1.11Å | |
| CAD | OAB | sing | 1.43Å | 1.43Å | |
| CAD | HAD1 | sing | 1.09Å | 1.11Å | |
| CAD | HAD2 | sing | 1.09Å | 1.12Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAA | HAA1 | 111.5° | 109.4° |
| CAC | CAA | HAA2 | 111.4° | 109.5° |
| CAC | CAA | HAA3 | 111.5° | 109.5° |
| CAA | CAC | CAE | 111.4° | 109.4° |
| CAA | CAC | HAC1 | 111.5° | 109.5° |
| CAA | CAC | HAC2 | 111.5° | 109.5° |
| HAA1 | CAA | HAA2 | 111.5° | 109.5° |
| HAA1 | CAA | HAA3 | 98.8° | 109.5° |
| HAA2 | CAA | HAA3 | 111.5° | 109.5° |
| CAE | CAC | HAC1 | 111.5° | 109.5° |
| CAE | CAC | HAC2 | 111.5° | 109.5° |
| CAC | CAE | CAG | 110.6° | 109.4° |
| CAC | CAE | HAE1 | 111.8° | 109.5° |
| CAC | CAE | HAE2 | 111.8° | 109.5° |
| HAC1 | CAC | HAC2 | 98.8° | 109.5° |
| CAG | CAE | HAE1 | 111.8° | 109.5° |
| CAG | CAE | HAE2 | 111.8° | 109.5° |
| CAE | CAG | CAH | 111.3° | 109.4° |
| CAE | CAG | HAG1 | 111.5° | 109.5° |
| CAE | CAG | HAG2 | 111.5° | 109.5° |
| HAE1 | CAE | HAE2 | 98.6° | 109.5° |
| CAH | CAG | HAG1 | 111.5° | 109.5° |
| CAH | CAG | HAG2 | 111.5° | 109.5° |
| CAG | CAH | CAF | 111.0° | 109.5° |
| CAG | CAH | HAH1 | 111.6° | 109.5° |
| CAG | CAH | HAH2 | 111.6° | 109.5° |
| HAG1 | CAG | HAG2 | 98.9° | 109.5° |
| CAF | CAH | HAH1 | 111.7° | 109.5° |
| CAF | CAH | HAH2 | 111.6° | 109.5° |
| CAH | CAF | CAD | 111.1° | 109.5° |
| CAH | CAF | HAF1 | 111.6° | 109.4° |
| CAH | CAF | HAF2 | 111.6° | 109.4° |
| HAH1 | CAH | HAH2 | 98.7° | 109.5° |
| CAD | CAF | HAF1 | 111.6° | 109.5° |
| CAD | CAF | HAF2 | 111.6° | 109.5° |
| CAF | CAD | OAB | 109.6° | 109.4° |
| CAF | CAD | HAD1 | 112.2° | 109.5° |
| CAF | CAD | HAD2 | 112.2° | 109.5° |
| HAF1 | CAF | HAF2 | 98.8° | 109.5° |
| OAB | CAD | HAD1 | 112.1° | 109.5° |
| OAB | CAD | HAD2 | 112.1° | 109.5° |
| CAD | OAB | HAB | 109.6° | 106.8° |
| HAD1 | CAD | HAD2 | 98.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAA | HAA1 | HAA2 | 125.2° | 120.0° |
| CAC | CAA | HAA1 | HAA3 | 117.4° | 120.0° |
| CAC | CAA | HAA2 | HAA3 | 125.3° | 120.0° |
| CAA | CAC | CAE | HAC1 | 125.3° | 120.0° |
| CAA | CAC | CAE | HAC2 | 125.3° | 120.0° |
| CAA | CAC | HAC1 | HAC2 | 117.4° | 120.0° |
| CAA | CAC | CAE | CAG | 130.1° | 180.0° |
| CAA | CAC | CAE | HAE1 | 104.6° | 60.0° |
| CAA | CAC | CAE | HAE2 | 4.8° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 109.4° | 120.0° |
| HAA1 | CAA | CAC | CAE | 54.7° | 180.0° |
| HAA1 | CAA | CAC | HAC1 | 70.5° | 60.0° |
| HAA1 | CAA | CAC | HAC2 | NaN° | 60.0° |
| HAA2 | CAA | CAC | CAE | 180.0° | 60.0° |
| HAA2 | CAA | CAC | HAC1 | 54.7° | 60.0° |
| HAA2 | CAA | CAC | HAC2 | 54.7° | 180.0° |
| HAA3 | CAA | CAC | CAE | 54.7° | 60.0° |
| HAA3 | CAA | CAC | HAC1 | 180.0° | 180.0° |
| HAA3 | CAA | CAC | HAC2 | 70.5° | 60.0° |
| CAE | CAC | HAC1 | HAC2 | 117.4° | 120.0° |
| CAC | CAE | CAG | HAE1 | 125.3° | 120.0° |
| CAC | CAE | CAG | HAE2 | 125.3° | 120.0° |
| CAC | CAE | HAE1 | HAE2 | 117.7° | 120.0° |
| CAC | CAE | CAG | CAH | 135.3° | 180.0° |
| CAC | CAE | CAG | HAG1 | 99.4° | 60.0° |
| CAC | CAE | CAG | HAG2 | 10.0° | 60.0° |
| HAC1 | CAC | CAE | CAG | 4.8° | 60.0° |
| HAC1 | CAC | CAE | HAE1 | 130.1° | NaN° |
| HAC1 | CAC | CAE | HAE2 | 120.4° | 60.0° |
| HAC2 | CAC | CAE | CAG | 104.6° | 60.0° |
| HAC2 | CAC | CAE | HAE1 | 20.7° | 60.0° |
| HAC2 | CAC | CAE | HAE2 | 130.1° | NaN° |
| CAG | CAE | HAE1 | HAE2 | 117.7° | 120.0° |
| CAE | CAG | CAH | HAG1 | 125.3° | 120.0° |
| CAE | CAG | CAH | HAG2 | 125.3° | 120.0° |
| CAE | CAG | HAG1 | HAG2 | 117.4° | 120.0° |
| CAE | CAG | CAH | CAF | 163.1° | 180.0° |
| CAE | CAG | CAH | HAH1 | 37.8° | 60.0° |
| CAE | CAG | CAH | HAH2 | 71.6° | 60.0° |
| HAE1 | CAE | CAG | CAH | 10.0° | 60.0° |
| HAE1 | CAE | CAG | HAG1 | 135.3° | 180.0° |
| HAE1 | CAE | CAG | HAG2 | 115.2° | 60.0° |
| HAE2 | CAE | CAG | CAH | 99.4° | 60.0° |
| HAE2 | CAE | CAG | HAG1 | 25.8° | 60.0° |
| HAE2 | CAE | CAG | HAG2 | 135.3° | 180.0° |
| CAH | CAG | HAG1 | HAG2 | 117.4° | 120.0° |
| CAG | CAH | CAF | HAH1 | 125.3° | 120.0° |
| CAG | CAH | CAF | HAH2 | 125.3° | 120.0° |
| CAG | CAH | HAH1 | HAH2 | 117.5° | 120.0° |
| CAG | CAH | CAF | CAD | 104.8° | 180.0° |
| CAG | CAH | CAF | HAF1 | 130.0° | 60.0° |
| CAG | CAH | CAF | HAF2 | 20.5° | 60.0° |
| HAG1 | CAG | CAH | CAF | 71.6° | 60.0° |
| HAG1 | CAG | CAH | HAH1 | 163.1° | 180.0° |
| HAG1 | CAG | CAH | HAH2 | 53.7° | 60.0° |
| HAG2 | CAG | CAH | CAF | 37.9° | 60.0° |
| HAG2 | CAG | CAH | HAH1 | 87.4° | 60.0° |
| HAG2 | CAG | CAH | HAH2 | 163.1° | 180.0° |
| CAF | CAH | HAH1 | HAH2 | 117.5° | 120.0° |
| CAH | CAF | CAD | HAF1 | 125.2° | 120.0° |
| CAH | CAF | CAD | HAF2 | 125.3° | 120.0° |
| CAH | CAF | HAF1 | HAF2 | 117.5° | 119.9° |
| CAH | CAF | CAD | OAB | 86.8° | 180.0° |
| CAH | CAF | CAD | HAD1 | 147.9° | 60.0° |
| CAH | CAF | CAD | HAD2 | 38.4° | 60.0° |
| HAH1 | CAH | CAF | CAD | 20.5° | 60.0° |
| HAH1 | CAH | CAF | HAF1 | 104.8° | 180.0° |
| HAH1 | CAH | CAF | HAF2 | 145.7° | 60.0° |
| HAH2 | CAH | CAF | CAD | 129.9° | 60.0° |
| HAH2 | CAH | CAF | HAF1 | 4.7° | 60.0° |
| HAH2 | CAH | CAF | HAF2 | 104.8° | 180.0° |
| CAD | CAF | HAF1 | HAF2 | 117.5° | 120.1° |
| CAF | CAD | OAB | HAD1 | 125.3° | 120.0° |
| CAF | CAD | OAB | HAD2 | 125.2° | 120.0° |
| CAF | CAD | HAD1 | HAD2 | 118.1° | 120.0° |
| CAF | CAD | OAB | HAB | 180.0° | 180.0° |
| HAF1 | CAF | CAD | OAB | 38.4° | 60.0° |
| HAF1 | CAF | CAD | HAD1 | 86.8° | 180.0° |
| HAF1 | CAF | CAD | HAD2 | 163.7° | 60.0° |
| HAF2 | CAF | CAD | OAB | 147.9° | 60.0° |
| HAF2 | CAF | CAD | HAD1 | 22.7° | 60.0° |
| HAF2 | CAF | CAD | HAD2 | 86.9° | 180.0° |
| OAB | CAD | HAD1 | HAD2 | 118.1° | 120.0° |
| HAD1 | CAD | OAB | HAB | 54.7° | 60.0° |
| HAD2 | CAD | OAB | HAB | 54.8° | 60.0° |
