CNV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAB | CAC | trip | 1.14Å | 1.14Å | |
| CAC | CAD | sing | 1.47Å | 1.48Å | |
| CAD | CAA | sing | 1.53Å | 1.53Å | |
| CAD | HXT | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | CAC | CAD | 173.6° | 180.0° |
| CAC | CAD | CAA | 100.7° | 109.5° |
| CAC | CAD | HXT | 111.6° | 109.5° |
| CAC | CAD | HAD | 111.6° | 109.5° |
| CAA | CAD | HXT | 111.6° | 109.4° |
| CAA | CAD | HAD | 111.6° | 109.4° |
| CAD | CAA | HAA1 | 109.5° | 109.5° |
| CAD | CAA | HAA2 | 109.5° | 109.5° |
| CAD | CAA | HAA3 | 109.4° | 109.5° |
| HXT | CAD | HAD | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.4° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | CAC | CAD | CAA | 108.8° | 180.0° |
| NAB | CAC | CAD | HXT | 9.8° | 60.0° |
| NAB | CAC | CAD | HAD | 132.7° | 60.0° |
| CAC | CAD | CAA | HXT | 118.6° | 120.0° |
| CAC | CAD | CAA | HAD | 118.5° | 120.0° |
| CAC | CAD | HXT | HAD | 124.1° | 120.1° |
| CAC | CAD | CAA | HAA1 | 180.0° | 60.0° |
| CAC | CAD | CAA | HAA2 | 60.0° | 180.0° |
| CAC | CAD | CAA | HAA3 | 60.0° | 60.0° |
| CAA | CAD | HXT | HAD | 124.1° | 119.9° |
| CAD | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAD | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAD | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HXT | CAD | CAA | HAA1 | 61.4° | 180.0° |
| HXT | CAD | CAA | HAA2 | 178.5° | 60.0° |
| HXT | CAD | CAA | HAA3 | 58.5° | 60.0° |
| HAD | CAD | CAA | HAA1 | 61.5° | 60.0° |
| HAD | CAD | CAA | HAA2 | 58.6° | 60.0° |
| HAD | CAD | CAA | HAA3 | 178.6° | 180.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
