5DH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C03 | sing | 1.48Å | 1.51Å | |
| C03 | C02 | sing | 1.43Å | 1.48Å | |
| C03 | C04 | doub | 1.39Å | 1.38Å | |
| O16 | C15 | sing | 1.36Å | 1.38Å | |
| C02 | N01 | trip | 1.14Å | 1.14Å | |
| C15 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C04 | sing | 1.48Å | 1.50Å | |
| C04 | C05 | sing | 1.47Å | 1.51Å | |
| C11 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | O09 | sing | 1.36Å | 1.38Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| O09 | H5 | sing | 0.97Å | 0.95Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| O16 | H10 | sing | 0.97Å | 0.95Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 119.5° | 120.3° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C22 | C21 | H14 | 120.0° | 119.9° |
| C21 | C22 | H15 | 120.2° | 119.8° |
| C22 | C23 | C24 | 120.3° | 120.2° |
| C23 | C22 | H15 | 120.2° | 119.9° |
| C22 | C23 | H16 | 119.8° | 119.9° |
| C21 | C20 | C19 | 120.3° | 119.9° |
| C21 | C20 | H13 | 119.9° | 120.0° |
| C20 | C21 | H14 | 120.0° | 120.0° |
| C23 | C24 | C19 | 120.4° | 119.8° |
| C24 | C23 | H16 | 119.9° | 120.0° |
| C23 | C24 | H17 | 119.8° | 120.1° |
| C20 | C19 | C24 | 119.5° | 119.8° |
| C20 | C19 | C03 | 122.6° | 120.1° |
| C19 | C20 | H13 | 119.8° | 120.1° |
| C24 | C19 | C03 | 117.9° | 120.1° |
| C19 | C24 | H17 | 119.8° | 120.1° |
| C19 | C03 | C02 | 113.5° | 120.0° |
| C19 | C03 | C04 | 124.1° | 120.0° |
| C02 | C03 | C04 | 122.2° | 120.0° |
| C03 | C02 | N01 | 179.9° | 180.0° |
| C03 | C04 | C12 | 121.3° | 120.0° |
| C03 | C04 | C05 | 121.1° | 120.0° |
| O16 | C15 | C17 | 120.3° | 119.9° |
| O16 | C15 | C14 | 120.0° | 119.9° |
| C15 | O16 | H10 | 109.5° | 114.0° |
| C17 | C15 | C14 | 119.7° | 120.2° |
| C15 | C17 | C18 | 120.2° | 120.1° |
| C15 | C17 | H11 | 119.9° | 119.9° |
| C15 | C14 | C13 | 120.1° | 120.1° |
| C15 | C14 | H9 | 119.9° | 120.0° |
| C17 | C18 | C12 | 120.1° | 119.9° |
| C18 | C17 | H11 | 119.9° | 119.9° |
| C17 | C18 | H12 | 119.9° | 120.1° |
| C14 | C13 | C12 | 120.2° | 119.9° |
| C14 | C13 | H8 | 119.9° | 120.1° |
| C13 | C14 | H9 | 120.0° | 119.9° |
| C18 | C12 | C13 | 119.7° | 119.8° |
| C18 | C12 | C04 | 120.0° | 120.1° |
| C12 | C18 | H12 | 120.0° | 120.1° |
| C13 | C12 | C04 | 120.3° | 120.1° |
| C12 | C13 | H8 | 119.9° | 120.0° |
| C12 | C04 | C05 | 117.6° | 120.0° |
| C04 | C05 | C11 | 122.1° | 120.1° |
| C04 | C05 | C06 | 118.5° | 120.1° |
| C05 | C11 | C10 | 120.4° | 119.9° |
| C11 | C05 | C06 | 119.3° | 119.8° |
| C05 | C11 | H7 | 119.8° | 120.0° |
| C11 | C10 | C08 | 119.9° | 120.1° |
| C11 | C10 | H6 | 120.0° | 120.0° |
| C10 | C11 | H7 | 119.8° | 120.1° |
| C05 | C06 | C07 | 120.4° | 119.9° |
| C05 | C06 | H3 | 119.8° | 120.1° |
| C10 | C08 | C07 | 119.9° | 120.2° |
| C10 | C08 | O09 | 120.2° | 119.9° |
| C08 | C10 | H6 | 120.1° | 120.0° |
| C06 | C07 | C08 | 120.2° | 120.1° |
| C07 | C06 | H3 | 119.8° | 120.0° |
| C06 | C07 | H4 | 119.9° | 120.0° |
| C07 | C08 | O09 | 120.0° | 119.9° |
| C08 | C07 | H4 | 119.9° | 119.9° |
| C08 | O09 | H5 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H15 | 180.0° | 179.9° |
| C22 | C21 | C20 | H14 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.2° | 0.3° |
| C22 | C21 | C20 | C19 | 0.9° | 0.0° |
| C22 | C21 | C20 | H13 | 179.1° | 180.0° |
| C21 | C22 | C23 | H16 | 179.8° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C23 | C24 | H16 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.1° | 0.6° |
| C23 | C22 | C21 | H14 | 179.9° | 179.9° |
| C22 | C23 | C24 | H17 | 179.9° | 180.0° |
| C21 | C20 | C19 | H13 | 180.0° | 180.0° |
| C21 | C20 | C19 | C24 | 1.2° | 0.2° |
| C21 | C20 | C19 | C03 | 179.0° | 179.9° |
| C20 | C21 | C22 | H15 | 179.8° | 179.9° |
| C23 | C24 | C19 | C20 | 0.8° | 0.5° |
| C23 | C24 | C19 | H17 | 180.0° | 179.4° |
| C23 | C24 | C19 | C03 | 179.4° | 179.8° |
| C24 | C23 | C22 | H15 | 179.8° | 179.8° |
| C20 | C19 | C24 | C03 | 179.8° | 179.7° |
| C20 | C19 | C03 | C02 | 143.2° | 66.0° |
| C20 | C19 | C03 | C04 | 42.0° | 113.8° |
| C19 | C20 | C21 | H14 | 179.2° | 179.9° |
| C20 | C19 | C24 | H17 | 179.2° | 180.0° |
| C24 | C19 | C03 | C02 | 36.6° | 113.7° |
| C24 | C19 | C03 | C04 | 138.2° | 66.6° |
| C24 | C19 | C20 | H13 | 178.8° | 179.8° |
| C19 | C24 | C23 | H16 | 179.9° | 179.7° |
| C19 | C03 | C02 | C04 | 174.9° | 179.8° |
| C19 | C03 | C02 | N01 | 110.6° | 22.1° |
| C19 | C03 | C04 | C12 | 14.8° | 174.8° |
| C19 | C03 | C04 | C05 | 166.2° | 5.2° |
| C03 | C19 | C20 | H13 | 1.0° | 0.1° |
| C03 | C19 | C24 | H17 | 0.6° | 0.3° |
| C02 | C03 | C04 | C12 | 159.5° | 5.4° |
| C02 | C03 | C04 | C05 | 19.4° | 174.6° |
| C04 | C03 | C02 | N01 | 74.5° | 158.1° |
| C03 | C04 | C12 | C18 | 119.1° | 115.4° |
| C03 | C04 | C12 | C13 | 60.8° | 64.9° |
| C03 | C04 | C12 | C05 | 178.9° | 179.9° |
| C03 | C04 | C05 | C11 | 40.9° | 67.6° |
| C03 | C04 | C05 | C06 | 140.0° | 112.6° |
| O16 | C15 | C17 | C14 | 180.0° | 179.7° |
| O16 | C15 | C17 | C18 | 180.0° | 180.0° |
| O16 | C15 | C14 | C13 | 179.9° | 179.7° |
| O16 | C15 | C14 | H9 | 0.1° | 0.3° |
| O16 | C15 | C17 | H11 | 0.0° | 0.3° |
| C15 | C17 | C18 | H11 | 180.0° | 179.7° |
| C17 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C17 | C18 | C12 | 0.1° | 0.6° |
| C17 | C15 | C14 | H9 | 179.9° | 180.0° |
| C17 | C15 | O16 | H10 | 180.0° | 90.0° |
| C15 | C17 | C18 | H12 | 180.0° | 180.0° |
| C14 | C15 | C17 | C18 | 0.0° | 0.3° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H8 | 179.8° | 180.0° |
| C14 | C15 | O16 | H10 | 0.0° | 89.7° |
| C14 | C15 | C17 | H11 | 180.0° | 180.0° |
| C17 | C18 | C12 | H12 | 180.0° | 179.4° |
| C17 | C18 | C12 | C13 | 0.0° | 0.6° |
| C17 | C18 | C12 | C04 | 180.0° | 179.7° |
| C14 | C13 | C12 | C18 | 0.1° | 0.2° |
| C14 | C13 | C12 | H8 | 180.0° | 179.9° |
| C14 | C13 | C12 | C04 | 179.9° | 180.0° |
| C18 | C12 | C13 | C04 | 180.0° | 179.7° |
| C18 | C12 | C04 | C05 | 61.9° | 64.7° |
| C18 | C12 | C13 | H8 | 179.9° | 179.7° |
| C12 | C18 | C17 | H11 | 179.9° | 179.7° |
| C13 | C12 | C04 | C05 | 118.1° | 115.0° |
| C12 | C13 | C14 | H9 | 179.9° | 180.0° |
| C13 | C12 | C18 | H12 | 180.0° | 180.0° |
| C12 | C04 | C05 | C11 | 140.1° | 112.3° |
| C12 | C04 | C05 | C06 | 38.9° | 67.4° |
| C04 | C12 | C13 | H8 | 0.1° | 0.0° |
| C04 | C12 | C18 | H12 | 0.1° | 0.3° |
| C04 | C05 | C11 | C06 | 179.1° | 179.7° |
| C04 | C05 | C11 | C10 | 180.0° | 179.8° |
| C04 | C05 | C06 | C07 | 179.7° | 180.0° |
| C04 | C05 | C06 | H3 | 0.3° | 0.1° |
| C04 | C05 | C11 | H7 | 0.0° | 0.0° |
| C05 | C11 | C10 | H7 | 180.0° | 179.8° |
| C05 | C11 | C10 | C08 | 0.8° | 0.5° |
| C11 | C05 | C06 | C07 | 0.6° | 0.3° |
| C11 | C05 | C06 | H3 | 179.4° | 179.8° |
| C05 | C11 | C10 | H6 | 179.2° | 179.7° |
| C10 | C11 | C05 | C06 | 1.0° | 0.5° |
| C11 | C10 | C08 | H6 | 180.0° | 179.8° |
| C11 | C10 | C08 | C07 | 0.3° | 0.2° |
| C11 | C10 | C08 | O09 | 179.7° | 179.8° |
| C05 | C06 | C07 | H3 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C05 | C06 | C07 | H4 | 180.0° | 180.0° |
| C06 | C05 | C11 | H7 | 179.0° | 179.7° |
| C10 | C08 | C07 | C06 | 0.1° | 0.0° |
| C10 | C08 | C07 | O09 | 180.0° | 180.0° |
| C10 | C08 | C07 | H4 | 179.9° | 180.0° |
| C10 | C08 | O09 | H5 | 180.0° | 90.0° |
| C08 | C10 | C11 | H7 | 179.2° | 179.8° |
| C06 | C07 | C08 | H4 | 180.0° | 180.0° |
| C06 | C07 | C08 | O09 | 179.9° | 180.0° |
| C08 | C07 | C06 | H3 | 179.9° | 179.9° |
| C07 | C08 | O09 | H5 | 0.0° | 90.0° |
| C07 | C08 | C10 | H6 | 179.7° | 180.0° |
| O09 | C08 | C07 | H4 | 0.1° | 0.0° |
| O09 | C08 | C10 | H6 | 0.3° | 0.0° |
| H3 | C06 | C07 | H4 | 0.0° | 0.0° |
| H6 | C10 | C11 | H7 | 0.9° | 0.1° |
| H8 | C13 | C14 | H9 | 0.2° | 0.1° |
| H11 | C17 | C18 | H12 | 0.0° | 0.3° |
| H13 | C20 | C21 | H14 | 0.8° | 0.1° |
| H14 | C21 | C22 | H15 | 0.1° | 0.0° |
| H15 | C22 | C23 | H16 | 0.2° | 0.0° |
| H16 | C23 | C24 | H17 | 0.1° | 0.3° |
