BU2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C1 | HC11 | sing | 1.09Å | 1.12Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | HC21 | sing | 1.09Å | 1.12Å | |
| C2 | HC22 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | HC3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C4 | HC43 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 111.2° | 109.5° |
| O1 | C1 | HC11 | 111.6° | 109.5° |
| O1 | C1 | HC12 | 111.6° | 109.4° |
| C1 | O1 | HO1 | 111.2° | 106.9° |
| C2 | C1 | HC11 | 111.6° | 109.5° |
| C2 | C1 | HC12 | 111.6° | 109.5° |
| C1 | C2 | C3 | 114.6° | 109.5° |
| C1 | C2 | HC21 | 110.3° | 109.5° |
| C1 | C2 | HC22 | 110.3° | 109.5° |
| HC11 | C1 | HC12 | 98.8° | 109.4° |
| C3 | C2 | HC21 | 110.3° | 109.5° |
| C3 | C2 | HC22 | 110.4° | 109.5° |
| C2 | C3 | O3 | 108.9° | 109.5° |
| C2 | C3 | C4 | 117.5° | 109.4° |
| C2 | C3 | HC3 | 104.1° | 109.4° |
| HC21 | C2 | HC22 | 99.9° | 109.5° |
| O3 | C3 | C4 | 108.8° | 109.5° |
| O3 | C3 | HC3 | 113.5° | 109.5° |
| C3 | O3 | HO3 | 108.9° | 106.8° |
| C4 | C3 | HC3 | 104.1° | 109.4° |
| C3 | C4 | HC41 | 109.4° | 109.5° |
| C3 | C4 | HC42 | 117.5° | 109.5° |
| C3 | C4 | HC43 | 109.3° | 109.5° |
| HC41 | C4 | HC42 | 109.3° | 109.4° |
| HC41 | C4 | HC43 | 100.8° | 109.5° |
| HC42 | C4 | HC43 | 109.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | HC11 | 125.2° | 120.1° |
| O1 | C1 | C2 | HC12 | 125.3° | 120.0° |
| O1 | C1 | HC11 | HC12 | 117.5° | 119.9° |
| O1 | C1 | C2 | C3 | 55.9° | 180.0° |
| O1 | C1 | C2 | HC21 | 69.4° | 59.9° |
| O1 | C1 | C2 | HC22 | 178.8° | 60.0° |
| C2 | C1 | HC11 | HC12 | 117.5° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | C3 | HC21 | 125.3° | 120.0° |
| C1 | C2 | C3 | HC22 | 125.3° | 120.0° |
| C1 | C2 | HC21 | HC22 | 116.2° | 120.0° |
| C1 | C2 | C3 | O3 | 89.0° | 60.0° |
| C1 | C2 | C3 | C4 | 146.8° | 180.0° |
| C1 | C2 | C3 | HC3 | 32.4° | 60.1° |
| HC11 | C1 | O1 | HO1 | 54.8° | 59.9° |
| HC11 | C1 | C2 | C3 | 178.9° | 59.9° |
| HC11 | C1 | C2 | HC21 | 55.9° | 180.0° |
| HC11 | C1 | C2 | HC22 | 53.6° | 60.0° |
| HC12 | C1 | O1 | HO1 | 54.7° | 60.0° |
| HC12 | C1 | C2 | C3 | 69.4° | 60.0° |
| HC12 | C1 | C2 | HC21 | 165.4° | 60.0° |
| HC12 | C1 | C2 | HC22 | 55.9° | 180.0° |
| C3 | C2 | HC21 | HC22 | 116.2° | 120.0° |
| C2 | C3 | O3 | C4 | 129.1° | 120.0° |
| C2 | C3 | O3 | HC3 | 115.4° | 120.0° |
| C2 | C3 | C4 | HC3 | 114.4° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | HC41 | 54.7° | 180.0° |
| C2 | C3 | C4 | HC42 | 180.0° | 60.0° |
| C2 | C3 | C4 | HC43 | 54.7° | 59.9° |
| HC21 | C2 | C3 | O3 | 145.7° | 180.0° |
| HC21 | C2 | C3 | C4 | 21.6° | 60.0° |
| HC21 | C2 | C3 | HC3 | 92.9° | 59.9° |
| HC22 | C2 | C3 | O3 | 36.2° | 60.0° |
| HC22 | C2 | C3 | C4 | 87.9° | 60.0° |
| HC22 | C2 | C3 | HC3 | 157.6° | 179.9° |
| O3 | C3 | C4 | HC3 | 121.4° | 120.0° |
| O3 | C3 | C4 | HC41 | 178.9° | 59.9° |
| O3 | C3 | C4 | HC42 | 55.8° | 60.0° |
| O3 | C3 | C4 | HC43 | 69.5° | 180.0° |
| C4 | C3 | O3 | HO3 | 50.9° | 60.0° |
| C3 | C4 | HC41 | HC42 | 129.9° | 120.0° |
| C3 | C4 | HC41 | HC43 | 115.1° | 120.1° |
| C3 | C4 | HC42 | HC43 | 125.2° | 120.0° |
| HC3 | C3 | O3 | HO3 | 64.6° | 180.0° |
| HC3 | C3 | C4 | HC41 | 59.7° | 60.1° |
| HC3 | C3 | C4 | HC42 | 65.6° | 180.0° |
| HC3 | C3 | C4 | HC43 | 169.1° | 60.0° |
| HC41 | C4 | HC42 | HC43 | 109.4° | 120.0° |
