KOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C13 | doub | 1.22Å | 1.24Å | |
| C13 | O14 | sing | 1.34Å | 1.37Å | |
| C13 | C12 | sing | 1.40Å | 1.40Å | |
| O14 | C4 | sing | 1.35Å | 1.37Å | |
| C4 | C5 | doub | 1.39Å | 1.48Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.49Å | Aromatic |
| C5 | O9 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | sing | 1.39Å | 1.48Å | Aromatic |
| C6 | O10 | sing | 1.36Å | 1.36Å | |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | |
| C11 | C3 | sing | 1.47Å | 1.50Å | |
| C11 | C18 | sing | 1.48Å | 1.50Å | |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C13 | O14 | 116.8° | 119.1° |
| O15 | C13 | C12 | 120.8° | 119.1° |
| O14 | C13 | C12 | 122.4° | 121.8° |
| C13 | O14 | C4 | 120.9° | 121.9° |
| C13 | C12 | C11 | 121.8° | 119.5° |
| C13 | C12 | H12 | 119.1° | 120.2° |
| O14 | C4 | C5 | 120.5° | 120.7° |
| O14 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | C3 | 119.0° | 119.3° |
| C4 | C5 | O9 | 121.8° | 120.2° |
| C4 | C5 | C6 | 117.7° | 119.7° |
| C4 | C3 | C11 | 116.8° | 118.8° |
| C4 | C3 | C2 | 119.0° | 120.2° |
| O9 | C5 | C6 | 120.4° | 120.1° |
| C5 | O9 | HO9 | 109.5° | 114.0° |
| C5 | C6 | O10 | 117.7° | 119.8° |
| C5 | C6 | C1 | 120.0° | 120.4° |
| O10 | C6 | C1 | 122.3° | 119.8° |
| C6 | O10 | HO10 | 109.5° | 114.0° |
| C6 | C1 | C2 | 121.9° | 120.5° |
| C6 | C1 | H1 | 119.0° | 119.8° |
| C1 | C2 | C3 | 122.3° | 119.9° |
| C2 | C1 | H1 | 119.1° | 119.8° |
| C1 | C2 | H2 | 118.8° | 120.1° |
| C12 | C11 | C3 | 117.6° | 117.9° |
| C12 | C11 | C18 | 118.6° | 121.1° |
| C11 | C12 | H12 | 119.1° | 120.2° |
| C3 | C11 | C18 | 123.7° | 121.0° |
| C11 | C3 | C2 | 124.2° | 121.0° |
| C11 | C18 | C24 | 118.9° | 120.1° |
| C11 | C18 | C20 | 121.6° | 120.1° |
| C3 | C2 | H2 | 118.9° | 120.1° |
| C24 | C18 | C20 | 119.5° | 119.7° |
| C18 | C24 | C23 | 121.2° | 119.9° |
| C18 | C24 | H24 | 119.4° | 120.1° |
| C18 | C20 | C21 | 119.4° | 119.8° |
| C18 | C20 | H20 | 120.3° | 120.1° |
| C24 | C23 | C22 | 119.0° | 120.2° |
| C23 | C24 | H24 | 119.4° | 120.1° |
| C24 | C23 | H23 | 120.5° | 120.0° |
| C23 | C22 | C21 | 120.0° | 120.3° |
| C22 | C23 | H23 | 120.5° | 119.9° |
| C23 | C22 | H22 | 120.0° | 119.9° |
| C22 | C21 | C20 | 120.7° | 120.2° |
| C21 | C22 | H22 | 120.0° | 119.8° |
| C22 | C21 | H21 | 119.6° | 119.9° |
| C20 | C21 | H21 | 119.6° | 119.9° |
| C21 | C20 | H20 | 120.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C13 | O14 | C12 | 179.0° | 179.7° |
| O15 | C13 | O14 | C4 | 179.0° | 180.0° |
| O15 | C13 | C12 | C11 | 178.6° | 180.0° |
| O15 | C13 | C12 | H12 | 1.4° | 0.1° |
| C13 | O14 | C4 | C5 | 179.5° | 180.0° |
| C13 | O14 | C4 | C3 | 0.3° | 0.0° |
| O14 | C13 | C12 | C11 | 0.4° | 0.2° |
| O14 | C13 | C12 | H12 | 179.6° | 179.6° |
| C12 | C13 | O14 | C4 | 0.0° | 0.3° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C3 | 1.1° | 0.0° |
| C13 | C12 | C11 | C18 | 178.7° | 180.0° |
| O14 | C4 | C5 | C3 | 179.3° | 180.0° |
| O14 | C4 | C5 | O9 | 0.2° | 0.0° |
| O14 | C4 | C5 | C6 | 179.7° | 180.0° |
| O14 | C4 | C3 | C11 | 1.0° | 0.3° |
| O14 | C4 | C3 | C2 | 179.5° | 180.0° |
| C4 | C5 | O9 | C6 | 179.9° | 179.9° |
| C4 | C5 | C6 | O10 | 179.2° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C5 | C4 | C3 | C11 | 179.8° | 179.8° |
| C5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C4 | C5 | O9 | HO9 | 75.6° | 89.9° |
| C3 | C4 | C5 | O9 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.0° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C4 | C3 | C11 | C12 | 1.3° | 0.3° |
| C4 | C3 | C11 | C2 | 178.4° | 179.7° |
| C4 | C3 | C11 | C18 | 178.8° | 179.7° |
| C4 | C3 | C2 | H2 | 179.4° | 180.0° |
| O9 | C5 | C6 | O10 | 0.7° | 0.1° |
| O9 | C5 | C6 | C1 | 179.8° | 180.0° |
| C5 | C6 | O10 | C1 | 179.4° | 180.0° |
| C5 | C6 | C1 | C2 | 0.4° | 0.0° |
| C6 | C5 | O9 | HO9 | 104.4° | 90.0° |
| C5 | C6 | O10 | HO10 | 74.9° | 90.0° |
| C5 | C6 | C1 | H1 | 179.6° | 180.0° |
| O10 | C6 | C1 | C2 | 179.8° | 180.0° |
| O10 | C6 | C1 | H1 | 0.2° | 0.1° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C6 | O10 | HO10 | 105.6° | 90.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C2 | C3 | C11 | 179.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C12 | C11 | C3 | C18 | 177.5° | 180.0° |
| C12 | C11 | C3 | C2 | 179.8° | 180.0° |
| C12 | C11 | C18 | C24 | 126.0° | 65.0° |
| C12 | C11 | C18 | C20 | 50.7° | 115.3° |
| C3 | C11 | C18 | C24 | 51.5° | 115.0° |
| C3 | C11 | C18 | C20 | 131.9° | 64.7° |
| C3 | C11 | C12 | H12 | 178.9° | 179.9° |
| C11 | C3 | C2 | H2 | 1.0° | 0.3° |
| C18 | C11 | C3 | C2 | 2.7° | 0.0° |
| C11 | C18 | C24 | C20 | 176.7° | 179.7° |
| C11 | C18 | C24 | C23 | 179.0° | 180.0° |
| C11 | C18 | C20 | C21 | 178.5° | 179.7° |
| C18 | C11 | C12 | H12 | 1.3° | 0.1° |
| C11 | C18 | C24 | H24 | 1.0° | 0.1° |
| C11 | C18 | C20 | H20 | 1.5° | 0.0° |
| C3 | C2 | C1 | H1 | 179.8° | 179.9° |
| C18 | C24 | C23 | H24 | 180.0° | 179.9° |
| C18 | C24 | C23 | C22 | 1.6° | 0.1° |
| C24 | C18 | C20 | C21 | 1.9° | 0.6° |
| C18 | C24 | C23 | H23 | 178.4° | 180.0° |
| C24 | C18 | C20 | H20 | 178.1° | 179.7° |
| C20 | C18 | C24 | C23 | 2.3° | 0.3° |
| C18 | C20 | C21 | C22 | 0.9° | 0.6° |
| C18 | C20 | C21 | H20 | 180.0° | 179.8° |
| C20 | C18 | C24 | H24 | 177.7° | 179.8° |
| C18 | C20 | C21 | H21 | 179.1° | 179.6° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.5° | 0.1° |
| C24 | C23 | C22 | H22 | 179.5° | 180.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.1° | 0.3° |
| C22 | C23 | C24 | H24 | 178.4° | 180.0° |
| C23 | C22 | C21 | H21 | 179.8° | 179.9° |
| C22 | C21 | C20 | H21 | 180.0° | 179.8° |
| C21 | C22 | C23 | H23 | 179.5° | 180.0° |
| C22 | C21 | C20 | H20 | 179.2° | 179.7° |
| C20 | C21 | C22 | H22 | 179.9° | 179.8° |
| H1 | C1 | C2 | H2 | 0.2° | 0.0° |
| H24 | C24 | C23 | H23 | 1.5° | 0.1° |
| H23 | C23 | C22 | H22 | 0.5° | 0.1° |
| H22 | C22 | C21 | H21 | 0.2° | 0.0° |
| H21 | C21 | C20 | H20 | 0.9° | 0.1° |
