BU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.9° | 109.5° |
| O1 | C1 | H1 | 109.3° | 109.5° |
| O1 | C1 | H1A | 109.3° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 118.6° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C2 | C1 | H1A | 109.3° | 109.5° |
| C1 | C2 | H2 | 106.5° | 109.5° |
| C1 | C2 | H2A | 106.5° | 109.5° |
| C2 | C3 | O3 | 109.1° | 109.5° |
| C2 | C3 | C4 | 112.7° | 109.5° |
| C3 | C2 | H2 | 106.5° | 109.5° |
| C3 | C2 | H2A | 106.5° | 109.5° |
| C2 | C3 | H3 | 107.0° | 109.5° |
| O3 | C3 | C4 | 107.7° | 109.5° |
| O3 | C3 | H3 | 112.0° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.4° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.4° |
| H1 | C1 | H1A | 109.6° | 109.5° |
| H2 | C2 | H2A | 112.3° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H1A | 120.0° | 119.9° |
| O1 | C1 | C2 | C3 | 118.6° | 180.0° |
| O1 | C1 | H1 | H1A | 119.8° | 120.0° |
| O1 | C1 | C2 | H2 | 1.4° | 60.0° |
| O1 | C1 | C2 | H2A | 121.4° | 60.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | C3 | O3 | 148.6° | 65.0° |
| C1 | C2 | C3 | C4 | 29.0° | 175.0° |
| C2 | C1 | H1 | H1A | 119.9° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
| C1 | C2 | H2 | H2A | 116.2° | 120.0° |
| C1 | C2 | C3 | H3 | 90.0° | 55.0° |
| C2 | C3 | O3 | C4 | 122.6° | 120.0° |
| C2 | C3 | O3 | H3 | 118.3° | 120.0° |
| C2 | C3 | C4 | H3 | 118.2° | 120.0° |
| C3 | C2 | C1 | H1 | 121.4° | 60.0° |
| C3 | C2 | C1 | H1A | 1.4° | 60.0° |
| C3 | C2 | H2 | H2A | 116.3° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4A | 60.0° | 180.0° |
| C2 | C3 | C4 | H4B | 60.0° | 60.0° |
| O3 | C3 | C4 | H3 | 121.4° | 120.0° |
| O3 | C3 | C2 | H2 | 28.6° | 175.0° |
| O3 | C3 | C2 | H2A | 91.4° | 55.0° |
| O3 | C3 | C4 | H4 | 59.6° | 60.0° |
| O3 | C3 | C4 | H4A | 179.6° | 60.0° |
| O3 | C3 | C4 | H4B | 60.4° | 180.0° |
| C4 | C3 | C2 | H2 | 91.0° | 55.0° |
| C4 | C3 | C2 | H2A | 149.0° | 64.9° |
| C4 | C3 | O3 | HO3 | 57.3° | 60.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| H1 | C1 | O1 | HO1 | 60.0° | 59.9° |
| H1 | C1 | C2 | H2 | 118.6° | 180.0° |
| H1 | C1 | C2 | H2A | 1.4° | 60.0° |
| H1A | C1 | O1 | HO1 | 60.0° | 60.1° |
| H1A | C1 | C2 | H2 | 121.4° | 60.0° |
| H1A | C1 | C2 | H2A | 118.6° | 180.0° |
| H2 | C2 | C3 | H3 | 150.0° | 65.0° |
| H2A | C2 | C3 | H3 | 30.0° | 175.0° |
| H3 | C3 | O3 | HO3 | 61.8° | 60.0° |
| H3 | C3 | C4 | H4 | 61.8° | 180.0° |
| H3 | C3 | C4 | H4A | 58.2° | 60.0° |
| H3 | C3 | C4 | H4B | 178.2° | 60.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
