2KT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | C | sing | 1.49Å | 1.53Å | |
| C | OXT | sing | 1.35Å | 1.23Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | H41 | 109.5° | 109.5° |
| C3 | C4 | H42 | 109.5° | 109.5° |
| C3 | C4 | H43 | 109.5° | 109.5° |
| C4 | C3 | C2 | 112.6° | 109.5° |
| C4 | C3 | H31 | 108.4° | 109.5° |
| C4 | C3 | H32 | 108.4° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H41 | C4 | H43 | 109.4° | 109.4° |
| H42 | C4 | H43 | 109.5° | 109.4° |
| C2 | C3 | H31 | 108.4° | 109.5° |
| C2 | C3 | H32 | 108.4° | 109.5° |
| C3 | C2 | O3 | 121.4° | 120.0° |
| C3 | C2 | C | 119.8° | 120.0° |
| H31 | C3 | H32 | 110.5° | 109.4° |
| O3 | C2 | C | 118.8° | 120.0° |
| C2 | C | OXT | 120.2° | 120.0° |
| C2 | C | O | 119.7° | 120.0° |
| OXT | C | O | 120.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | H41 | H42 | 120.0° | 120.1° |
| C3 | C4 | H41 | H43 | 120.0° | 120.0° |
| C3 | C4 | H42 | H43 | 120.0° | 120.0° |
| C4 | C3 | C2 | H31 | 120.0° | 120.0° |
| C4 | C3 | C2 | H32 | 120.0° | 120.0° |
| C4 | C3 | H31 | H32 | 118.7° | 120.0° |
| C4 | C3 | C2 | O3 | 28.2° | 0.0° |
| C4 | C3 | C2 | C | 151.4° | 180.0° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
| H41 | C4 | C3 | C2 | 180.0° | 60.0° |
| H41 | C4 | C3 | H31 | 60.0° | 60.0° |
| H41 | C4 | C3 | H32 | 60.0° | 180.0° |
| H42 | C4 | C3 | C2 | 60.0° | 60.0° |
| H42 | C4 | C3 | H31 | 60.0° | 180.0° |
| H42 | C4 | C3 | H32 | 180.0° | 60.0° |
| H43 | C4 | C3 | C2 | 60.0° | 180.0° |
| H43 | C4 | C3 | H31 | 180.0° | 60.0° |
| H43 | C4 | C3 | H32 | 60.0° | 60.0° |
| C2 | C3 | H31 | H32 | 118.7° | 120.0° |
| C3 | C2 | O3 | C | 179.6° | 180.0° |
| C3 | C2 | C | OXT | 40.0° | 180.0° |
| C3 | C2 | C | O | 142.4° | 0.0° |
| H31 | C3 | C2 | O3 | 148.2° | 120.0° |
| H31 | C3 | C2 | C | 31.4° | 60.0° |
| H32 | C3 | C2 | O3 | 91.8° | 120.0° |
| H32 | C3 | C2 | C | 88.6° | 60.0° |
| O3 | C2 | C | OXT | 139.7° | 0.0° |
| O3 | C2 | C | O | 38.0° | 180.0° |
| C2 | C | OXT | O | 177.6° | 180.0° |
| C2 | C | OXT | HXT | 177.6° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
