9RJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C1 | doub | 1.41Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.52Å | |
| C16 | C15 | doub | 1.35Å | 1.35Å | |
| C17 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.36Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.42Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.46Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | O24 | sing | 1.36Å | 1.37Å | |
| C15 | C5 | sing | 1.47Å | 1.52Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| O23 | H11 | sing | 0.97Å | 0.95Å | |
| O24 | H12 | sing | 0.97Å | 0.95Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.7° | 120.9° |
| C8 | C9 | C10 | 120.6° | 121.0° |
| C9 | C8 | H4 | 119.7° | 119.6° |
| C8 | C9 | H5 | 119.7° | 119.5° |
| C8 | C7 | C6 | 119.2° | 119.6° |
| C8 | C7 | H3 | 120.4° | 120.2° |
| C7 | C8 | H4 | 119.7° | 119.5° |
| C9 | C10 | C1 | 118.4° | 119.6° |
| C10 | C9 | H5 | 119.7° | 119.5° |
| C9 | C10 | H6 | 120.8° | 120.2° |
| C7 | C6 | C1 | 119.2° | 119.6° |
| C7 | C6 | C5 | 118.8° | 121.5° |
| C6 | C7 | H3 | 120.4° | 120.2° |
| C19 | C18 | C17 | 120.5° | 120.0° |
| C18 | C19 | C20 | 120.7° | 120.2° |
| C18 | C19 | H9 | 119.7° | 119.9° |
| C19 | C18 | H13 | 119.7° | 120.0° |
| C18 | C17 | C16 | 121.6° | 120.1° |
| C18 | C17 | C22 | 117.7° | 119.8° |
| C17 | C18 | H13 | 119.7° | 120.0° |
| C19 | C20 | O23 | 120.3° | 119.9° |
| C19 | C20 | C21 | 119.7° | 120.2° |
| C20 | C19 | H9 | 119.6° | 120.0° |
| C10 | C1 | C6 | 121.8° | 119.2° |
| C10 | C1 | C2 | 118.2° | 121.3° |
| C1 | C10 | H6 | 120.8° | 120.2° |
| C17 | C16 | C15 | 118.6° | 120.0° |
| C16 | C17 | C22 | 120.6° | 120.1° |
| C17 | C16 | H8 | 120.7° | 120.0° |
| C16 | C15 | C5 | 125.7° | 120.0° |
| C16 | C15 | H7 | 117.2° | 120.0° |
| C15 | C16 | H8 | 120.7° | 120.0° |
| C17 | C22 | C21 | 121.3° | 119.8° |
| C17 | C22 | H10 | 119.4° | 120.1° |
| O23 | C20 | C21 | 120.0° | 119.9° |
| C20 | O23 | H11 | 109.5° | 114.0° |
| C20 | C21 | C22 | 120.0° | 120.1° |
| C20 | C21 | O24 | 119.2° | 119.9° |
| C1 | C6 | C5 | 122.0° | 118.9° |
| C6 | C1 | C2 | 120.0° | 119.5° |
| C6 | C5 | C15 | 123.3° | 120.7° |
| C6 | C5 | C4 | 116.9° | 118.6° |
| C1 | C2 | C3 | 118.5° | 120.7° |
| C1 | C2 | H1 | 120.7° | 119.6° |
| C22 | C21 | O24 | 120.8° | 120.0° |
| C21 | C22 | H10 | 119.3° | 120.1° |
| C21 | O24 | H12 | 109.5° | 114.0° |
| C15 | C5 | C4 | 119.7° | 120.7° |
| C5 | C15 | H7 | 117.1° | 120.0° |
| C5 | C4 | C3 | 121.9° | 120.6° |
| C5 | C4 | H14 | 119.0° | 119.7° |
| C2 | C3 | C4 | 120.7° | 121.9° |
| C3 | C2 | H1 | 120.7° | 119.7° |
| C2 | C3 | H2 | 119.7° | 119.0° |
| C4 | C3 | H2 | 119.7° | 119.1° |
| C3 | C4 | H14 | 119.1° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H4 | 180.0° | 179.7° |
| C8 | C9 | C10 | H5 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 0.1° | 0.3° |
| C8 | C9 | C10 | C1 | 0.1° | 0.0° |
| C9 | C8 | C7 | H3 | 179.8° | 179.8° |
| C8 | C9 | C10 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.3° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C1 | 0.8° | 0.1° |
| C8 | C7 | C6 | C5 | 179.9° | 179.5° |
| C7 | C8 | C9 | H5 | 179.8° | 180.0° |
| C9 | C10 | C1 | H6 | 180.0° | 179.9° |
| C9 | C10 | C1 | C6 | 0.8° | 0.2° |
| C9 | C10 | C1 | C2 | 179.8° | 180.0° |
| C10 | C9 | C8 | H4 | 179.8° | 180.0° |
| C7 | C6 | C1 | C10 | 1.1° | 0.2° |
| C7 | C6 | C1 | C5 | 179.1° | 179.5° |
| C7 | C6 | C1 | C2 | 179.5° | 180.0° |
| C7 | C6 | C5 | C15 | 3.7° | 0.2° |
| C7 | C6 | C5 | C4 | 179.7° | 179.9° |
| C6 | C7 | C8 | H4 | 179.9° | 180.0° |
| C19 | C18 | C17 | H13 | 180.0° | 179.5° |
| C18 | C19 | C20 | H9 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 177.2° | 180.0° |
| C19 | C18 | C17 | C22 | 0.4° | 0.5° |
| C18 | C19 | C20 | O23 | 179.8° | 179.8° |
| C18 | C19 | C20 | C21 | 0.1° | 0.3° |
| C17 | C18 | C19 | C20 | 0.0° | 0.5° |
| C18 | C17 | C16 | C22 | 176.7° | 179.5° |
| C18 | C17 | C16 | C15 | 162.4° | 0.0° |
| C18 | C17 | C22 | C21 | 0.7° | 0.2° |
| C18 | C17 | C16 | H8 | 17.6° | 180.0° |
| C17 | C18 | C19 | H9 | 180.0° | 179.8° |
| C18 | C17 | C22 | H10 | 179.3° | 179.8° |
| C19 | C20 | O23 | C21 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | O24 | 180.0° | 179.9° |
| C19 | C20 | O23 | H11 | 180.0° | 90.0° |
| C20 | C19 | C18 | H13 | 180.0° | 179.9° |
| C10 | C1 | C6 | C2 | 179.4° | 179.8° |
| C10 | C1 | C6 | C5 | 179.7° | 179.7° |
| C10 | C1 | C2 | C3 | 179.2° | 180.0° |
| C10 | C1 | C2 | H1 | 0.8° | 0.0° |
| C1 | C10 | C9 | H5 | 179.9° | 179.7° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C16 | C17 | C22 | C21 | 177.5° | 179.7° |
| C17 | C16 | C15 | C5 | 173.9° | 180.0° |
| C17 | C16 | C15 | H7 | 6.2° | 0.1° |
| C16 | C17 | C22 | H10 | 2.5° | 0.2° |
| C16 | C17 | C18 | H13 | 2.8° | 0.5° |
| C15 | C16 | C17 | C22 | 14.3° | 179.5° |
| C16 | C15 | C5 | C6 | 17.9° | 179.7° |
| C16 | C15 | C5 | H7 | 180.0° | 179.9° |
| C16 | C15 | C5 | C4 | 158.0° | 0.0° |
| C17 | C22 | C21 | C20 | 0.5° | 0.0° |
| C17 | C22 | C21 | H10 | 180.0° | 180.0° |
| C17 | C22 | C21 | O24 | 179.5° | 180.0° |
| C22 | C17 | C16 | H8 | 165.8° | 0.5° |
| C22 | C17 | C18 | H13 | 179.6° | 180.0° |
| O23 | C20 | C21 | C22 | 180.0° | 180.0° |
| O23 | C20 | C21 | O24 | 0.1° | 0.0° |
| O23 | C20 | C19 | H9 | 0.2° | 0.1° |
| C20 | C21 | C22 | O24 | 179.9° | 179.9° |
| C21 | C20 | C19 | H9 | 179.9° | 180.0° |
| C20 | C21 | C22 | H10 | 179.5° | 180.0° |
| C21 | C20 | O23 | H11 | 0.1° | 90.1° |
| C20 | C21 | O24 | H12 | 180.0° | 90.0° |
| C1 | C6 | C5 | C15 | 177.1° | 179.7° |
| C1 | C6 | C5 | C4 | 1.1° | 0.6° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C6 | C1 | C2 | H1 | 179.8° | 179.7° |
| C1 | C6 | C7 | H3 | 179.2° | 180.0° |
| C6 | C1 | C10 | H6 | 179.2° | 179.7° |
| C5 | C6 | C1 | C2 | 0.3° | 0.5° |
| C6 | C5 | C15 | C4 | 175.9° | 179.7° |
| C6 | C5 | C4 | C3 | 1.5° | 0.3° |
| C5 | C6 | C7 | H3 | 0.0° | 0.4° |
| C6 | C5 | C15 | H7 | 162.1° | 0.2° |
| C6 | C5 | C4 | H14 | 178.6° | 180.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | C1 | C10 | H6 | 0.2° | 0.0° |
| C22 | C21 | O24 | H12 | 0.1° | 90.1° |
| O24 | C21 | C22 | H10 | 0.5° | 0.1° |
| C15 | C5 | C4 | C3 | 177.6° | 179.9° |
| C5 | C15 | C16 | H8 | 6.1° | 0.0° |
| C15 | C5 | C4 | H14 | 2.4° | 0.3° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C5 | C4 | C3 | H14 | 180.0° | 179.7° |
| C5 | C4 | C3 | H2 | 179.0° | 180.0° |
| C4 | C5 | C15 | H7 | 22.0° | 179.9° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H14 | 179.1° | 179.7° |
| C4 | C3 | C2 | H1 | 179.9° | 180.0° |
| H1 | C2 | C3 | H2 | 0.1° | 0.0° |
| H2 | C3 | C4 | H14 | 1.0° | 0.3° |
| H3 | C7 | C8 | H4 | 0.2° | 0.1° |
| H4 | C8 | C9 | H5 | 0.2° | 0.3° |
| H5 | C9 | C10 | H6 | 0.1° | 0.4° |
| H7 | C15 | C16 | H8 | 173.9° | 179.9° |
| H9 | C19 | C18 | H13 | 0.0° | 0.2° |
