AHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C20 | doub | 1.36Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | O21 | sing | 1.43Å | 1.45Å | |
| C20 | C12 | sing | 1.41Å | 1.44Å | Aromatic |
| O21 | C16 | sing | 1.36Å | 1.41Å | |
| C16 | C15 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.36Å | 1.41Å | Aromatic |
| C15 | C13 | sing | 1.40Å | 1.47Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.48Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C9 | sing | 1.36Å | 1.40Å | Aromatic |
| C9 | C7 | sing | 1.51Å | 1.57Å | |
| C7 | C1 | sing | 1.53Å | 1.61Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C17 | C16 | 119.5° | 121.0° |
| C17 | C20 | C12 | 120.3° | 119.7° |
| C20 | C17 | H10 | 120.3° | 119.5° |
| C17 | C20 | H11 | 119.9° | 120.2° |
| C17 | C16 | O21 | 119.8° | 119.6° |
| C17 | C16 | C15 | 118.1° | 120.9° |
| C16 | C17 | H10 | 120.2° | 119.6° |
| C22 | O21 | C16 | 118.5° | 117.0° |
| O21 | C22 | H12 | 109.5° | 109.4° |
| O21 | C22 | H13 | 109.5° | 109.4° |
| O21 | C22 | H14 | 109.5° | 109.5° |
| C20 | C12 | C11 | 121.0° | 121.2° |
| C20 | C12 | C13 | 119.3° | 119.4° |
| C12 | C20 | H11 | 119.8° | 120.1° |
| O21 | C16 | C15 | 121.8° | 119.6° |
| C16 | C15 | C13 | 121.0° | 119.6° |
| C16 | C15 | H9 | 119.5° | 120.2° |
| C11 | C12 | C13 | 119.7° | 119.4° |
| C12 | C11 | C10 | 120.1° | 119.7° |
| C12 | C11 | H7 | 120.0° | 120.2° |
| C12 | C13 | C15 | 118.8° | 119.4° |
| C12 | C13 | C14 | 119.3° | 119.3° |
| C11 | C10 | C9 | 122.3° | 121.0° |
| C11 | C10 | H4 | 118.8° | 119.6° |
| C10 | C11 | H7 | 119.9° | 120.1° |
| C15 | C13 | C14 | 121.9° | 121.2° |
| C13 | C15 | H9 | 119.5° | 120.2° |
| C13 | C14 | C9 | 122.1° | 119.6° |
| C13 | C14 | H8 | 119.0° | 120.2° |
| C10 | C9 | C14 | 116.4° | 121.0° |
| C10 | C9 | C7 | 119.8° | 119.5° |
| C9 | C10 | H4 | 118.8° | 119.5° |
| C14 | C9 | C7 | 123.8° | 119.5° |
| C9 | C14 | H8 | 119.0° | 120.2° |
| C9 | C7 | C1 | 117.7° | 109.5° |
| C9 | C7 | H5 | 107.4° | 109.5° |
| C9 | C7 | H6 | 107.4° | 109.5° |
| C7 | C1 | H1 | 109.5° | 109.4° |
| C7 | C1 | H2 | 109.5° | 109.4° |
| C7 | C1 | H3 | 109.4° | 109.4° |
| C1 | C7 | H5 | 107.4° | 109.4° |
| C1 | C7 | H6 | 107.4° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H12 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C17 | C16 | H10 | 180.0° | 179.9° |
| C17 | C20 | C12 | H11 | 180.0° | 180.0° |
| C20 | C17 | C16 | O21 | 173.6° | 180.0° |
| C20 | C17 | C16 | C15 | 0.4° | 0.1° |
| C17 | C20 | C12 | C11 | 166.5° | 180.0° |
| C17 | C20 | C12 | C13 | 13.6° | 0.1° |
| C17 | C16 | O21 | C22 | 56.2° | 0.0° |
| C16 | C17 | C20 | C12 | 13.6° | 0.0° |
| C17 | C16 | O21 | C15 | 173.8° | 179.9° |
| C17 | C16 | C15 | C13 | 14.4° | 0.0° |
| C17 | C16 | C15 | H9 | 165.6° | 179.9° |
| C16 | C17 | C20 | H11 | 166.4° | 180.0° |
| C22 | O21 | C16 | C15 | 130.0° | 180.0° |
| O21 | C22 | H12 | H13 | 120.0° | 119.9° |
| O21 | C22 | H12 | H14 | 120.0° | 120.0° |
| O21 | C22 | H13 | H14 | 120.0° | 120.0° |
| C20 | C12 | C11 | C13 | 179.9° | 179.9° |
| C20 | C12 | C11 | C10 | 179.9° | 180.0° |
| C20 | C12 | C13 | C15 | 0.3° | 0.1° |
| C20 | C12 | C13 | C14 | 180.0° | 179.8° |
| C20 | C12 | C11 | H7 | 0.1° | 0.1° |
| C12 | C20 | C17 | H10 | 166.4° | 179.9° |
| O21 | C16 | C15 | C13 | 159.5° | 180.0° |
| O21 | C16 | C15 | H9 | 20.6° | 0.0° |
| O21 | C16 | C17 | H10 | 6.4° | 0.1° |
| C16 | O21 | C22 | H12 | 180.0° | 180.0° |
| C16 | O21 | C22 | H13 | 60.0° | 60.0° |
| C16 | O21 | C22 | H14 | 60.0° | 60.0° |
| C16 | C15 | C13 | C12 | 14.5° | 0.0° |
| C16 | C15 | C13 | H9 | 180.0° | 180.0° |
| C16 | C15 | C13 | C14 | 165.7° | 179.8° |
| C15 | C16 | C17 | H10 | 179.6° | 180.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | C15 | 179.6° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C12 | C11 | C10 | H4 | 179.9° | 179.6° |
| C11 | C12 | C20 | H11 | 13.5° | 0.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C12 | C13 | C15 | C14 | 179.7° | 179.8° |
| C12 | C13 | C14 | C9 | 0.2° | 0.5° |
| C13 | C12 | C11 | H7 | 179.9° | 180.0° |
| C12 | C13 | C14 | H8 | 179.8° | 180.0° |
| C12 | C13 | C15 | H9 | 165.4° | 180.0° |
| C13 | C12 | C20 | H11 | 166.5° | 179.9° |
| C11 | C10 | C9 | H4 | 180.0° | 179.6° |
| C11 | C10 | C9 | C14 | 0.1° | 0.3° |
| C11 | C10 | C9 | C7 | 179.2° | 179.7° |
| C15 | C13 | C14 | C9 | 179.6° | 179.7° |
| C15 | C13 | C14 | H8 | 0.5° | 0.2° |
| C13 | C14 | C9 | C10 | 0.1° | 0.5° |
| C13 | C14 | C9 | H8 | 180.0° | 179.5° |
| C13 | C14 | C9 | C7 | 179.4° | 179.5° |
| C14 | C13 | C15 | H9 | 14.3° | 0.2° |
| C10 | C9 | C14 | C7 | 179.3° | 180.0° |
| C10 | C9 | C7 | C1 | 51.6° | 90.0° |
| C10 | C9 | C7 | H5 | 172.8° | 29.9° |
| C10 | C9 | C7 | H6 | 69.6° | 150.0° |
| C9 | C10 | C11 | H7 | 179.8° | 179.9° |
| C10 | C9 | C14 | H8 | 179.9° | 179.9° |
| C14 | C9 | C7 | C1 | 127.7° | 90.0° |
| C14 | C9 | C10 | H4 | 179.9° | 179.9° |
| C14 | C9 | C7 | H5 | 6.5° | 150.1° |
| C14 | C9 | C7 | H6 | 111.1° | 30.0° |
| C9 | C7 | C1 | H5 | 121.2° | 120.0° |
| C9 | C7 | C1 | H6 | 121.2° | 120.0° |
| C9 | C7 | C1 | H1 | 180.0° | 180.0° |
| C9 | C7 | C1 | H2 | 60.0° | 60.0° |
| C9 | C7 | C1 | H3 | 60.0° | 60.0° |
| C7 | C9 | C10 | H4 | 0.7° | 0.1° |
| C9 | C7 | H5 | H6 | 116.3° | 120.1° |
| C7 | C9 | C14 | H8 | 0.6° | 0.1° |
| C7 | C1 | H1 | H2 | 120.0° | 120.0° |
| C7 | C1 | H1 | H3 | 120.0° | 120.0° |
| C7 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C7 | H5 | H6 | 116.2° | 119.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C7 | H5 | 58.8° | 60.0° |
| H1 | C1 | C7 | H6 | 58.8° | 60.0° |
| H2 | C1 | C7 | H5 | 178.8° | 60.0° |
| H2 | C1 | C7 | H6 | 61.2° | 180.0° |
| H3 | C1 | C7 | H5 | 61.2° | NaN° |
| H3 | C1 | C7 | H6 | 178.8° | 60.0° |
| H4 | C10 | C11 | H7 | 0.2° | 0.3° |
| H10 | C17 | C20 | H11 | 13.6° | 0.1° |
| H12 | C22 | H13 | H14 | 120.0° | 120.0° |
