BG8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.47Å | |
| O5 | C1 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.47Å | |
| O15 | C13 | doub | 1.22Å | 1.22Å | |
| O1 | C1 | sing | 1.43Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | N2 | sing | 1.47Å | 1.44Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C13 | N2 | sing | 1.35Å | 1.34Å | |
| C13 | C16 | sing | 1.48Å | 1.51Å | |
| C17 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 109.8° | 109.5° |
| O6 | C6 | H61 | 109.4° | 109.4° |
| O6 | C6 | H62 | 109.4° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 108.4° | 109.4° |
| C6 | C5 | C4 | 111.5° | 109.5° |
| C6 | C5 | H5 | 108.2° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.4° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| C5 | O5 | C1 | 110.4° | 114.1° |
| O5 | C5 | C4 | 112.0° | 109.4° |
| O5 | C5 | H5 | 108.7° | 109.4° |
| O5 | C1 | O1 | 108.3° | 109.5° |
| O5 | C1 | C2 | 105.8° | 109.4° |
| O5 | C1 | H1 | 111.7° | 109.4° |
| C5 | C4 | O4 | 108.5° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.2° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C5 | C4 | H4 | 108.8° | 109.5° |
| O4 | C4 | C3 | 108.2° | 109.6° |
| O4 | C4 | H4 | 109.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | C2 | 111.9° | 109.0° |
| C4 | C3 | O3 | 110.7° | 109.6° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C3 | C4 | H4 | 109.6° | 109.6° |
| O15 | C13 | N2 | 121.5° | 120.0° |
| O15 | C13 | C16 | 120.0° | 120.0° |
| O1 | C1 | C2 | 108.3° | 109.5° |
| O1 | C1 | H1 | 112.5° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 112.1° | 109.2° |
| C1 | C2 | N2 | 110.1° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| C2 | C1 | H1 | 110.0° | 109.5° |
| C3 | C2 | N2 | 107.9° | 109.5° |
| C2 | C3 | O3 | 109.1° | 109.6° |
| C2 | C3 | H3 | 107.6° | 109.5° |
| C3 | C2 | H2 | 108.4° | 109.6° |
| C2 | N2 | C13 | 118.8° | 120.0° |
| N2 | C2 | H2 | 109.7° | 109.5° |
| C2 | N2 | HN21 | 120.6° | 120.0° |
| O3 | C3 | H3 | 108.9° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| N2 | C13 | C16 | 118.4° | 120.0° |
| C13 | N2 | HN21 | 120.6° | 120.0° |
| C13 | C16 | C17 | 119.9° | 120.1° |
| C13 | C16 | C14 | 119.5° | 120.1° |
| C16 | C17 | C18 | 120.1° | 119.8° |
| C17 | C16 | C14 | 120.5° | 119.7° |
| C16 | C17 | H14 | 120.0° | 120.1° |
| C17 | C18 | C19 | 119.6° | 120.2° |
| C18 | C17 | H14 | 120.0° | 120.0° |
| C17 | C18 | H15 | 120.2° | 119.9° |
| C16 | C14 | C20 | 119.4° | 119.8° |
| C16 | C14 | H13 | 120.3° | 120.1° |
| C18 | C19 | C20 | 120.5° | 120.3° |
| C19 | C18 | H15 | 120.2° | 119.9° |
| C18 | C19 | H16 | 119.7° | 119.9° |
| C14 | C20 | C19 | 119.8° | 120.2° |
| C20 | C14 | H13 | 120.3° | 120.1° |
| C14 | C20 | H17 | 120.1° | 119.9° |
| C20 | C19 | H16 | 119.7° | 119.9° |
| C19 | C20 | H17 | 120.1° | 120.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 120.0° | 120.0° |
| O6 | C6 | C5 | H62 | 120.1° | 120.1° |
| O6 | C6 | C5 | O5 | 63.5° | 65.0° |
| O6 | C6 | C5 | C4 | 60.2° | 175.0° |
| O6 | C6 | C5 | H5 | 178.8° | 54.9° |
| O6 | C6 | H61 | H62 | 119.8° | 120.0° |
| C6 | C5 | O5 | C4 | 123.4° | 120.0° |
| C6 | C5 | O5 | H5 | 117.4° | 120.0° |
| C6 | C5 | O5 | C1 | 173.9° | 178.9° |
| C6 | C5 | C4 | H5 | 118.7° | 120.1° |
| C6 | C5 | C4 | O4 | 69.8° | 62.5° |
| C6 | C5 | C4 | C3 | 170.8° | 177.6° |
| C6 | C5 | C4 | H4 | 49.4° | 57.5° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C4 | H5 | 119.7° | 119.9° |
| O5 | C5 | C4 | O4 | 168.6° | 177.5° |
| O5 | C5 | C4 | C3 | 49.2° | 57.6° |
| C5 | O5 | C1 | O1 | 177.1° | 178.8° |
| C5 | O5 | C1 | C2 | 66.9° | 61.1° |
| C5 | O5 | C1 | H1 | 52.8° | 58.9° |
| O5 | C5 | C4 | H4 | 72.2° | 62.4° |
| O5 | C5 | C6 | H61 | 176.5° | 175.0° |
| O5 | C5 | C6 | H62 | 56.6° | 55.0° |
| C1 | O5 | C5 | C4 | 62.7° | 61.1° |
| O5 | C1 | O1 | C2 | 114.3° | 120.0° |
| O5 | C1 | O1 | H1 | 123.9° | 120.0° |
| O5 | C1 | C2 | H1 | 120.7° | 119.9° |
| O5 | C1 | C2 | C3 | 61.5° | 57.6° |
| O5 | C1 | C2 | N2 | 178.3° | 177.5° |
| O5 | C1 | C2 | H2 | 58.2° | 62.4° |
| C1 | O5 | C5 | H5 | 56.5° | 58.8° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C5 | C4 | O4 | C3 | 121.8° | 119.7° |
| C5 | C4 | O4 | H4 | 118.7° | 120.0° |
| C5 | C4 | C3 | H4 | 120.9° | 119.9° |
| C5 | C4 | C3 | C2 | 43.5° | 57.0° |
| C5 | C4 | C3 | O3 | 165.5° | 176.9° |
| C5 | C4 | C3 | H3 | 75.0° | 62.8° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C4 | C5 | C6 | H61 | 59.9° | 55.1° |
| C4 | C5 | C6 | H62 | 179.8° | 64.9° |
| O4 | C4 | C3 | H4 | 119.5° | 120.2° |
| O4 | C4 | C3 | C2 | 163.1° | 176.8° |
| O4 | C4 | C3 | O3 | 74.9° | 63.2° |
| O4 | C4 | C3 | H3 | 44.5° | 57.0° |
| O4 | C4 | C5 | H5 | 48.9° | 57.6° |
| C4 | C3 | C2 | C1 | 50.9° | 57.0° |
| C4 | C3 | C2 | O3 | 122.9° | 120.0° |
| C4 | C3 | C2 | H3 | 119.0° | 119.8° |
| C4 | C3 | C2 | N2 | 172.4° | 176.9° |
| C4 | C3 | O3 | H3 | 119.2° | 120.2° |
| C4 | C3 | C2 | H2 | 68.8° | 63.0° |
| C3 | C4 | C5 | H5 | 70.5° | 62.3° |
| C3 | C4 | O4 | HO4 | 58.2° | 179.8° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.2° |
| O15 | C13 | N2 | C2 | 0.7° | 0.1° |
| O15 | C13 | N2 | C16 | 177.7° | 179.9° |
| O15 | C13 | C16 | C17 | 16.5° | 180.0° |
| O15 | C13 | C16 | C14 | 166.9° | 0.1° |
| O15 | C13 | N2 | HN21 | 179.3° | 180.0° |
| O1 | C1 | C2 | H1 | 123.3° | 120.0° |
| O1 | C1 | C2 | C3 | 177.4° | 177.6° |
| O1 | C1 | C2 | N2 | 62.4° | 62.5° |
| O1 | C1 | C2 | H2 | 57.8° | 57.7° |
| C1 | C2 | C3 | N2 | 121.5° | 119.9° |
| C1 | C2 | C3 | H2 | 119.8° | 119.9° |
| C1 | C2 | N2 | H2 | 119.4° | 120.1° |
| C1 | C2 | C3 | O3 | 173.9° | 176.9° |
| C1 | C2 | N2 | C13 | 108.8° | 85.3° |
| C1 | C2 | C3 | H3 | 68.1° | 62.8° |
| C1 | C2 | N2 | HN21 | 71.3° | 94.7° |
| C2 | C1 | O1 | HO1 | 65.7° | 180.0° |
| C3 | C2 | N2 | H2 | 117.9° | 120.2° |
| C2 | C3 | O3 | H3 | 117.2° | 120.2° |
| C3 | C2 | N2 | C13 | 128.6° | 155.0° |
| C3 | C2 | C1 | H1 | 59.2° | 62.4° |
| C2 | C3 | C4 | H4 | 77.4° | 63.0° |
| C3 | C2 | N2 | HN21 | 51.4° | 25.0° |
| C2 | C3 | O3 | HO3 | 56.4° | 179.8° |
| N2 | C2 | C3 | O3 | 64.7° | 63.2° |
| C2 | N2 | C13 | HN21 | 180.0° | 180.0° |
| C2 | N2 | C13 | C16 | 177.0° | 180.0° |
| N2 | C2 | C3 | H3 | 53.4° | 57.1° |
| N2 | C2 | C1 | H1 | 60.9° | 57.5° |
| O3 | C3 | C2 | H2 | 54.1° | 57.0° |
| O3 | C3 | C4 | H4 | 44.6° | 57.0° |
| N2 | C13 | C16 | C17 | 161.2° | 0.1° |
| N2 | C13 | C16 | C14 | 15.4° | 180.0° |
| C13 | N2 | C2 | H2 | 10.7° | 34.8° |
| C13 | C16 | C17 | C14 | 176.6° | 179.9° |
| C13 | C16 | C17 | C18 | 178.6° | 180.0° |
| C13 | C16 | C14 | C20 | 178.9° | 179.9° |
| C16 | C13 | N2 | HN21 | 3.0° | 0.0° |
| C13 | C16 | C14 | H13 | 1.1° | 0.3° |
| C13 | C16 | C17 | H14 | 1.4° | 0.1° |
| C16 | C17 | C18 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.0° | 0.1° |
| C17 | C16 | C14 | C20 | 2.2° | 0.0° |
| C17 | C16 | C14 | H13 | 177.8° | 179.8° |
| C16 | C17 | C18 | H15 | 179.0° | 180.0° |
| C18 | C17 | C16 | C14 | 2.0° | 0.1° |
| C17 | C18 | C19 | H15 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.3° | 0.1° |
| C17 | C18 | C19 | H16 | 179.7° | 180.0° |
| C16 | C14 | C20 | H13 | 180.0° | 179.8° |
| C16 | C14 | C20 | C19 | 1.6° | 0.0° |
| C14 | C16 | C17 | H14 | 178.0° | 180.0° |
| C16 | C14 | C20 | H17 | 178.4° | 179.7° |
| C18 | C19 | C20 | C14 | 0.6° | 0.0° |
| C18 | C19 | C20 | H16 | 180.0° | 179.9° |
| C19 | C18 | C17 | H14 | 179.0° | 180.0° |
| C18 | C19 | C20 | H17 | 179.4° | 179.6° |
| C14 | C20 | C19 | H17 | 180.0° | 179.7° |
| C14 | C20 | C19 | H16 | 179.4° | 179.9° |
| C19 | C20 | C14 | H13 | 178.4° | 179.8° |
| C20 | C19 | C18 | H15 | 179.7° | 180.0° |
| H3 | C3 | C2 | H2 | 172.2° | 177.2° |
| H3 | C3 | C4 | H4 | 164.0° | 177.2° |
| H3 | C3 | O3 | HO3 | 60.8° | 60.0° |
| H2 | C2 | C1 | H1 | 178.9° | 177.7° |
| H2 | C2 | N2 | HN21 | 169.3° | 145.2° |
| H1 | C1 | O1 | HO1 | 56.2° | 59.9° |
| H5 | C5 | C4 | H4 | 168.1° | 177.7° |
| H5 | C5 | C6 | H61 | 58.7° | 65.0° |
| H5 | C5 | C6 | H62 | 61.2° | 175.0° |
| H4 | C4 | O4 | HO4 | 61.3° | 60.0° |
| H61 | C6 | O6 | HO6 | 59.9° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H13 | C14 | C20 | H17 | 1.6° | 0.1° |
| H14 | C17 | C18 | H15 | 1.0° | 0.1° |
| H15 | C18 | C19 | H16 | 0.3° | 0.1° |
| H16 | C19 | C20 | H17 | 0.6° | 0.3° |
