HE2
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 | 1.11Å | |
| 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 | 1.11Å | |
| CAE | CAG | sing | 1.53Å | 1.53Å | |
| CAE | HAE1 | sing | 1.09Å | 1.12Å | |
| CAE | HAE2 | sing | 1.09Å | 1.12Å | |
| CAG | CAF | sing | 1.53Å | 1.53Å | |
| CAG | HAG1 | sing | 1.09Å | 1.12Å | |
| CAG | HAG2 | sing | 1.09Å | 1.12Å | |
| 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 | 111.8° | 109.5° |
| CAC | CAA | HAA2 | 110.6° | 109.4° |
| CAC | CAA | HAA3 | 111.8° | 109.4° |
| CAA | CAC | CAE | 110.6° | 109.5° |
| CAA | CAC | HAC1 | 111.8° | 109.5° |
| CAA | CAC | HAC2 | 111.8° | 109.5° |
| HAA1 | CAA | HAA2 | 111.8° | 109.5° |
| HAA1 | CAA | HAA3 | 98.6° | 109.5° |
| HAA2 | CAA | HAA3 | 111.8° | 109.5° |
| CAE | CAC | HAC1 | 111.8° | 109.5° |
| CAE | CAC | HAC2 | 111.8° | 109.5° |
| CAC | CAE | CAG | 112.0° | 109.5° |
| CAC | CAE | HAE1 | 111.2° | 109.5° |
| CAC | CAE | HAE2 | 111.3° | 109.5° |
| HAC1 | CAC | HAC2 | 98.6° | 109.5° |
| CAG | CAE | HAE1 | 111.3° | 109.5° |
| CAG | CAE | HAE2 | 111.3° | 109.5° |
| CAE | CAG | CAF | 110.0° | 109.5° |
| CAE | CAG | HAG1 | 112.0° | 109.5° |
| CAE | CAG | HAG2 | 112.0° | 109.5° |
| HAE1 | CAE | HAE2 | 99.1° | 109.5° |
| CAF | CAG | HAG1 | 112.0° | 109.5° |
| CAF | CAG | HAG2 | 112.0° | 109.5° |
| CAG | CAF | CAD | 111.7° | 109.5° |
| CAG | CAF | HAF1 | 111.4° | 109.5° |
| CAG | CAF | HAF2 | 111.4° | 109.5° |
| HAG1 | CAG | HAG2 | 98.4° | 109.4° |
| CAD | CAF | HAF1 | 111.4° | 109.5° |
| CAD | CAF | HAF2 | 111.4° | 109.5° |
| CAF | CAD | OAB | 109.1° | 109.5° |
| CAF | CAD | HAD1 | 112.3° | 109.4° |
| CAF | CAD | HAD2 | 112.3° | 109.4° |
| HAF1 | CAF | HAF2 | 99.0° | 109.4° |
| OAB | CAD | HAD1 | 112.3° | 109.5° |
| OAB | CAD | HAD2 | 112.3° | 109.5° |
| CAD | OAB | HAB | 109.1° | 106.8° |
| HAD1 | CAD | HAD2 | 98.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAA | HAA1 | HAA2 | 124.6° | 120.0° |
| CAC | CAA | HAA1 | HAA3 | 117.7° | 120.0° |
| CAC | CAA | HAA2 | HAA3 | 125.3° | 119.9° |
| CAA | CAC | CAE | HAC1 | 125.3° | 120.0° |
| CAA | CAC | CAE | HAC2 | 125.3° | 120.0° |
| CAA | CAC | HAC1 | HAC2 | 117.7° | 120.0° |
| CAA | CAC | CAE | CAG | 171.5° | 180.0° |
| CAA | CAC | CAE | HAE1 | 63.3° | 60.0° |
| CAA | CAC | CAE | HAE2 | 46.2° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 109.5° | 120.1° |
| HAA1 | CAA | CAC | CAE | 54.8° | 180.0° |
| HAA1 | CAA | CAC | HAC1 | 70.5° | 60.0° |
| HAA1 | CAA | CAC | HAC2 | 180.0° | 60.0° |
| HAA2 | CAA | CAC | CAE | 180.0° | 60.0° |
| HAA2 | CAA | CAC | HAC1 | 54.7° | 60.0° |
| HAA2 | CAA | CAC | HAC2 | 54.8° | 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 | 117.7° | 120.0° |
| CAC | CAE | CAG | HAE1 | 125.2° | 120.0° |
| CAC | CAE | CAG | HAE2 | 125.3° | 120.0° |
| CAC | CAE | HAE1 | HAE2 | 117.2° | 120.0° |
| CAC | CAE | CAG | CAF | 171.6° | 180.0° |
| CAC | CAE | CAG | HAG1 | 46.3° | 60.0° |
| CAC | CAE | CAG | HAG2 | 63.2° | 60.0° |
| HAC1 | CAC | CAE | CAG | 46.2° | 60.0° |
| HAC1 | CAC | CAE | HAE1 | 171.5° | NaN° |
| HAC1 | CAC | CAE | HAE2 | 79.0° | 60.0° |
| HAC2 | CAC | CAE | CAG | 63.3° | 60.0° |
| HAC2 | CAC | CAE | HAE1 | 62.0° | 60.0° |
| HAC2 | CAC | CAE | HAE2 | 171.5° | NaN° |
| CAG | CAE | HAE1 | HAE2 | 117.2° | 120.0° |
| CAE | CAG | CAF | HAG1 | 125.2° | 120.0° |
| CAE | CAG | CAF | HAG2 | 125.3° | 120.0° |
| CAE | CAG | HAG1 | HAG2 | 117.9° | 120.0° |
| CAE | CAG | CAF | CAD | 172.5° | 180.0° |
| CAE | CAG | CAF | HAF1 | 62.2° | 60.0° |
| CAE | CAG | CAF | HAF2 | 47.3° | 60.0° |
| HAE1 | CAE | CAG | CAF | 63.2° | 60.0° |
| HAE1 | CAE | CAG | HAG1 | 171.5° | 180.0° |
| HAE1 | CAE | CAG | HAG2 | 62.1° | 60.0° |
| HAE2 | CAE | CAG | CAF | 46.3° | 60.0° |
| HAE2 | CAE | CAG | HAG1 | 79.0° | 60.0° |
| HAE2 | CAE | CAG | HAG2 | 171.6° | 180.0° |
| CAF | CAG | HAG1 | HAG2 | 117.9° | 120.0° |
| CAG | CAF | CAD | HAF1 | 125.3° | 120.0° |
| CAG | CAF | CAD | HAF2 | 125.2° | 120.0° |
| CAG | CAF | HAF1 | HAF2 | 117.3° | 120.0° |
| CAG | CAF | CAD | OAB | 173.4° | 180.0° |
| CAG | CAF | CAD | HAD1 | 48.2° | 59.9° |
| CAG | CAF | CAD | HAD2 | 61.3° | 59.9° |
| HAG1 | CAG | CAF | CAD | 47.3° | 60.0° |
| HAG1 | CAG | CAF | HAF1 | 172.6° | 180.0° |
| HAG1 | CAG | CAF | HAF2 | 77.9° | 60.1° |
| HAG2 | CAG | CAF | CAD | 62.2° | 60.0° |
| HAG2 | CAG | CAF | HAF1 | 63.1° | 60.1° |
| HAG2 | CAG | CAF | HAF2 | 172.6° | 180.0° |
| CAD | CAF | HAF1 | HAF2 | 117.3° | 120.0° |
| CAF | CAD | OAB | HAD1 | 125.3° | 120.0° |
| CAF | CAD | OAB | HAD2 | 125.3° | 120.0° |
| CAF | CAD | HAD1 | HAD2 | 118.3° | 119.9° |
| CAF | CAD | OAB | HAB | 180.0° | 180.0° |
| HAF1 | CAF | CAD | OAB | 61.3° | 60.0° |
| HAF1 | CAF | CAD | HAD1 | 173.5° | 180.0° |
| HAF1 | CAF | CAD | HAD2 | 64.0° | 60.1° |
| HAF2 | CAF | CAD | OAB | 48.2° | 60.0° |
| HAF2 | CAF | CAD | HAD1 | 77.0° | 60.1° |
| HAF2 | CAF | CAD | HAD2 | 173.4° | 180.0° |
| OAB | CAD | HAD1 | HAD2 | 118.2° | 120.0° |
| HAD1 | CAD | OAB | HAB | 54.7° | 60.0° |
| HAD2 | CAD | OAB | HAB | 54.8° | 60.0° |
