OSB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | sing | 1.35Å | 1.25Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | C7 | doub | 1.21Å | 1.24Å | |
| C7 | C2 | sing | 1.48Å | 1.46Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.10Å | |
| C2 | C1 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C8 | sing | 1.47Å | 1.44Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | O3 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O4 | doub | 1.21Å | 1.24Å | |
| C11 | O5 | sing | 1.34Å | 1.24Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | O1 | HO1 | 121.0° | 120.1° |
| O1 | C7 | O2 | 121.0° | 120.0° |
| O1 | C7 | C2 | 116.9° | 120.0° |
| O2 | C7 | C2 | 120.0° | 120.0° |
| C7 | C2 | C3 | 122.2° | 120.2° |
| C7 | C2 | C1 | 119.9° | 120.2° |
| C5 | C6 | C1 | 119.6° | 120.0° |
| C5 | C6 | H61 | 120.1° | 120.0° |
| C6 | C5 | C4 | 119.1° | 120.4° |
| C6 | C5 | H51 | 120.3° | 119.8° |
| C1 | C6 | H61 | 120.4° | 120.0° |
| C6 | C1 | C2 | 122.1° | 119.5° |
| C6 | C1 | C8 | 116.7° | 120.2° |
| C4 | C5 | H51 | 120.6° | 119.8° |
| C5 | C4 | C3 | 120.9° | 120.4° |
| C5 | C4 | H41 | 119.3° | 119.8° |
| C3 | C4 | H41 | 119.8° | 119.8° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C4 | C3 | H31 | 119.9° | 120.0° |
| C2 | C3 | H31 | 119.7° | 120.0° |
| C3 | C2 | C1 | 117.9° | 119.6° |
| C2 | C1 | C8 | 121.2° | 120.2° |
| C1 | C8 | C9 | 103.1° | 120.0° |
| C1 | C8 | O3 | 130.5° | 119.9° |
| C9 | C8 | O3 | 126.5° | 120.0° |
| C8 | C9 | C10 | 113.2° | 109.5° |
| C8 | C9 | H91 | 110.9° | 109.5° |
| C8 | C9 | H92 | 110.9° | 109.4° |
| C10 | C9 | H91 | 110.8° | 109.5° |
| C10 | C9 | H92 | 110.8° | 109.5° |
| C9 | C10 | C11 | 115.7° | 109.5° |
| C9 | C10 | H101 | 110.0° | 109.4° |
| C9 | C10 | H102 | 109.9° | 109.5° |
| H91 | C9 | H92 | 99.5° | 109.5° |
| C11 | C10 | H101 | 109.9° | 109.4° |
| C11 | C10 | H102 | 109.9° | 109.5° |
| C10 | C11 | O4 | 115.7° | 120.0° |
| C10 | C11 | O5 | 122.9° | 120.1° |
| H101 | C10 | H102 | 100.2° | 109.5° |
| O4 | C11 | O5 | 120.1° | 119.9° |
| C11 | O5 | HO5 | 122.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | O2 | C2 | 162.8° | 179.9° |
| O1 | C7 | C2 | C3 | 100.5° | 5.4° |
| O1 | C7 | C2 | C1 | 79.2° | 175.2° |
| HO1 | O1 | C7 | O2 | 180.0° | 0.1° |
| HO1 | O1 | C7 | C2 | 16.7° | 180.0° |
| O2 | C7 | C2 | C3 | 63.0° | 174.5° |
| O2 | C7 | C2 | C1 | 117.3° | 4.9° |
| C7 | C2 | C1 | C6 | 179.6° | 180.0° |
| C7 | C2 | C3 | C4 | 179.9° | 180.0° |
| C7 | C2 | C3 | C1 | 179.7° | 179.5° |
| C7 | C2 | C3 | H31 | 0.1° | 0.2° |
| C7 | C2 | C1 | C8 | 1.1° | 0.3° |
| C5 | C6 | C1 | H61 | 180.0° | 180.0° |
| C6 | C5 | C4 | H51 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | H41 | 179.6° | 179.9° |
| C5 | C6 | C1 | C2 | 0.1° | 0.2° |
| C5 | C6 | C1 | C8 | 179.2° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C1 | C6 | C5 | H51 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.6° |
| C6 | C1 | C2 | C8 | 179.2° | 179.7° |
| C6 | C1 | C8 | C9 | 0.5° | 85.0° |
| C6 | C1 | C8 | O3 | 179.3° | 95.0° |
| H61 | C6 | C5 | C4 | 179.8° | 179.9° |
| H61 | C6 | C5 | H51 | 0.2° | 0.0° |
| H61 | C6 | C1 | C2 | 179.9° | 179.8° |
| H61 | C6 | C1 | C8 | 0.8° | 0.1° |
| C5 | C4 | C3 | H41 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.3° |
| C5 | C4 | C3 | H31 | 179.6° | 180.0° |
| H51 | C5 | C4 | C3 | 179.6° | 180.0° |
| H51 | C5 | C4 | H41 | 0.4° | 0.0° |
| C4 | C3 | C2 | H31 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.1° | 0.6° |
| H41 | C4 | C3 | C2 | 179.6° | 179.7° |
| H41 | C4 | C3 | H31 | 0.4° | 0.0° |
| C3 | C2 | C1 | C8 | 179.1° | 179.7° |
| H31 | C3 | C2 | C1 | 179.8° | 179.7° |
| C2 | C1 | C8 | C9 | 178.7° | 95.3° |
| C2 | C1 | C8 | O3 | 0.1° | 84.8° |
| C1 | C8 | C9 | O3 | 178.9° | 180.0° |
| C1 | C8 | C9 | C10 | 178.0° | 180.0° |
| C1 | C8 | C9 | H91 | 52.7° | 60.0° |
| C1 | C8 | C9 | H92 | 56.8° | 60.0° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 116.8° | 120.0° |
| C8 | C9 | C10 | C11 | 45.0° | 180.0° |
| C8 | C9 | C10 | H101 | 80.3° | 60.0° |
| C8 | C9 | C10 | H102 | 170.3° | 60.0° |
| O3 | C8 | C9 | C10 | 0.9° | 0.0° |
| O3 | C8 | C9 | H91 | 126.2° | 120.1° |
| O3 | C8 | C9 | H92 | 124.3° | 120.0° |
| C10 | C9 | H91 | H92 | 116.7° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 119.9° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 115.7° | 120.0° |
| C9 | C10 | C11 | O4 | 153.7° | 0.0° |
| C9 | C10 | C11 | O5 | 13.1° | 180.0° |
| H91 | C9 | C10 | C11 | 170.3° | 60.0° |
| H91 | C9 | C10 | H101 | 45.0° | 179.9° |
| H91 | C9 | C10 | H102 | 64.5° | 60.1° |
| H92 | C9 | C10 | C11 | 80.3° | 60.0° |
| H92 | C9 | C10 | H101 | 154.4° | 59.9° |
| H92 | C9 | C10 | H102 | 45.0° | 180.0° |
| C11 | C10 | H101 | H102 | 115.7° | 120.0° |
| C10 | C11 | O4 | O5 | 167.2° | 180.0° |
| C10 | C11 | O5 | HO5 | 180.0° | 180.0° |
| H101 | C10 | C11 | O4 | 28.4° | 120.0° |
| H101 | C10 | C11 | O5 | 138.5° | 60.0° |
| H102 | C10 | C11 | O4 | 81.0° | 120.0° |
| H102 | C10 | C11 | O5 | 112.2° | 60.0° |
| O4 | C11 | O5 | HO5 | 13.8° | 0.0° |
