IYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.51Å | |
| C7 | N8 | sing | 1.35Å | 1.36Å | Aromatic |
| N8 | C9 | doub | 1.30Å | 1.38Å | Aromatic |
| C9 | N10 | sing | 1.35Å | 1.42Å | Aromatic |
| C7 | C11 | doub | 1.36Å | 1.41Å | Aromatic |
| N10 | C11 | sing | 1.37Å | 1.39Å | Aromatic |
| N10 | C12 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.38Å | Aromatic |
| C14 | C17 | sing | 1.36Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.42Å | 1.41Å | Aromatic |
| C19 | N20 | sing | 1.34Å | 1.42Å | Aromatic |
| N20 | C21 | doub | 1.32Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.48Å | Aromatic |
| C18 | N23 | sing | 1.34Å | 1.42Å | Aromatic |
| C22 | N23 | doub | 1.31Å | 1.39Å | Aromatic |
| C21 | O24 | sing | 1.35Å | 1.45Å | |
| C9 | C26 | sing | 1.51Å | 1.53Å | |
| O24 | C26 | sing | 1.43Å | 1.44Å | |
| C11 | H32 | sing | 1.08Å | 1.08Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H37 | sing | 1.08Å | 1.08Å | |
| C17 | H38 | sing | 1.08Å | 1.08Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.08Å | 1.08Å | |
| C2 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H29 | sing | 1.08Å | 1.08Å | |
| C5 | H30 | sing | 1.08Å | 1.08Å | |
| C6 | H31 | sing | 1.08Å | 1.08Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.08Å | 1.08Å | |
| C22 | CL13 | sing | 1.74Å | 1.81Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.5° | 119.9° |
| C2 | C1 | C6 | 119.3° | 120.1° |
| C2 | C1 | H27 | 120.4° | 120.0° |
| C1 | C2 | H28 | 119.7° | 120.1° |
| C2 | C3 | C4 | 120.7° | 119.8° |
| C2 | C3 | C7 | 117.5° | 120.1° |
| C3 | C2 | H28 | 119.7° | 120.1° |
| C3 | C4 | C5 | 118.5° | 119.9° |
| C4 | C3 | C7 | 121.8° | 120.1° |
| C3 | C4 | H29 | 120.7° | 120.1° |
| C4 | C5 | C6 | 121.3° | 120.2° |
| C5 | C4 | H29 | 120.8° | 120.1° |
| C4 | C5 | H30 | 119.4° | 119.9° |
| C1 | C6 | C5 | 119.6° | 120.2° |
| C6 | C1 | H27 | 120.3° | 119.9° |
| C1 | C6 | H31 | 120.2° | 119.9° |
| C6 | C5 | H30 | 119.4° | 119.9° |
| C5 | C6 | H31 | 120.2° | 119.9° |
| C3 | C7 | N8 | 119.1° | 126.2° |
| C3 | C7 | C11 | 132.1° | 126.1° |
| C7 | N8 | C9 | 108.3° | 109.2° |
| N8 | C7 | C11 | 108.8° | 107.7° |
| N8 | C9 | N10 | 108.4° | 109.0° |
| N8 | C9 | C26 | 121.8° | 125.5° |
| C9 | N10 | C11 | 106.6° | 107.5° |
| C9 | N10 | C12 | 125.9° | 126.3° |
| N10 | C9 | C26 | 129.7° | 125.5° |
| C7 | C11 | N10 | 107.9° | 106.7° |
| C7 | C11 | H32 | 126.1° | 126.7° |
| C11 | N10 | C12 | 127.6° | 126.2° |
| N10 | C11 | H32 | 126.1° | 126.7° |
| N10 | C12 | H33 | 109.5° | 109.5° |
| N10 | C12 | H34 | 109.5° | 109.5° |
| N10 | C12 | H35 | 109.5° | 109.4° |
| C14 | C15 | C16 | 120.2° | 120.9° |
| C15 | C14 | C17 | 121.1° | 120.9° |
| C14 | C15 | H1 | 119.9° | 119.5° |
| C15 | C14 | H36 | 119.5° | 119.5° |
| C15 | C16 | C19 | 119.9° | 119.7° |
| C16 | C15 | H1 | 119.9° | 119.5° |
| C15 | C16 | H37 | 120.0° | 120.1° |
| C14 | C17 | C18 | 119.0° | 119.7° |
| C14 | C17 | H38 | 120.5° | 120.1° |
| C17 | C14 | H36 | 119.5° | 119.5° |
| C17 | C18 | C19 | 120.1° | 119.3° |
| C17 | C18 | N23 | 118.7° | 121.0° |
| C18 | C17 | H38 | 120.5° | 120.2° |
| C16 | C19 | C18 | 119.7° | 119.4° |
| C16 | C19 | N20 | 117.9° | 121.0° |
| C19 | C16 | H37 | 120.0° | 120.1° |
| C18 | C19 | N20 | 122.4° | 119.6° |
| C19 | C18 | N23 | 121.2° | 119.7° |
| C19 | N20 | C21 | 116.3° | 119.7° |
| N20 | C21 | C22 | 122.6° | 120.5° |
| N20 | C21 | O24 | 119.4° | 119.8° |
| C21 | C22 | N23 | 120.0° | 120.6° |
| C22 | C21 | O24 | 118.0° | 119.7° |
| C21 | C22 | CL13 | 119.2° | 119.7° |
| C18 | N23 | C22 | 117.6° | 119.8° |
| N23 | C22 | CL13 | 120.8° | 119.7° |
| C21 | O24 | C26 | 123.0° | 117.0° |
| C9 | C26 | O24 | 108.4° | 109.5° |
| C9 | C26 | H43 | 109.7° | 109.5° |
| C9 | C26 | H42 | 109.7° | 109.5° |
| O24 | C26 | H43 | 109.8° | 109.5° |
| O24 | C26 | H42 | 109.7° | 109.5° |
| H43 | C26 | H42 | 109.5° | 109.5° |
| H33 | C12 | H34 | 109.4° | 109.5° |
| H33 | C12 | H35 | 109.5° | 109.5° |
| H34 | C12 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H28 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.3° | 0.1° |
| C2 | C1 | C6 | H27 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 1.4° | 0.0° |
| C1 | C2 | C3 | C7 | 178.5° | 180.0° |
| C2 | C1 | C6 | H31 | 178.6° | 180.0° |
| C2 | C3 | C4 | C7 | 179.1° | 179.9° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C3 | C2 | C1 | C6 | 1.2° | 0.1° |
| C2 | C3 | C7 | N8 | 1.8° | 0.1° |
| C2 | C3 | C7 | C11 | 179.4° | 180.0° |
| C3 | C2 | C1 | H27 | 178.8° | 179.7° |
| C2 | C3 | C4 | H29 | 179.2° | 179.9° |
| C3 | C4 | C5 | H29 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.9° | 0.0° |
| C4 | C3 | C7 | N8 | 179.1° | 180.0° |
| C4 | C3 | C7 | C11 | 0.3° | 0.1° |
| C4 | C3 | C2 | H28 | 177.7° | 179.9° |
| C3 | C4 | C5 | H30 | 178.2° | 179.9° |
| C4 | C5 | C6 | C1 | 3.0° | 0.0° |
| C4 | C5 | C6 | H30 | 180.0° | 179.9° |
| C5 | C4 | C3 | C7 | 179.9° | 180.0° |
| C4 | C5 | C6 | H31 | 177.0° | 180.0° |
| C1 | C6 | C5 | H31 | 180.0° | 180.0° |
| C6 | C1 | C2 | H28 | 178.8° | 180.0° |
| C1 | C6 | C5 | H30 | 177.0° | 179.9° |
| C5 | C6 | C1 | H27 | 178.6° | 179.7° |
| C6 | C5 | C4 | H29 | 178.1° | 180.0° |
| C3 | C7 | N8 | C11 | 179.1° | 179.9° |
| C3 | C7 | N8 | C9 | 178.3° | 180.0° |
| C3 | C7 | C11 | N10 | 179.2° | 179.7° |
| C3 | C7 | C11 | H32 | 0.8° | 0.1° |
| C7 | C3 | C2 | H28 | 1.5° | 0.1° |
| C7 | C3 | C4 | H29 | 0.1° | 0.0° |
| C7 | N8 | C9 | N10 | 1.5° | 0.3° |
| N8 | C7 | C11 | N10 | 0.3° | 0.2° |
| C7 | N8 | C9 | C26 | 179.4° | 180.0° |
| N8 | C7 | C11 | H32 | 179.7° | 180.0° |
| N8 | C9 | N10 | C26 | 177.7° | 179.8° |
| C9 | N8 | C7 | C11 | 0.7° | 0.0° |
| N8 | C9 | N10 | C11 | 1.6° | 0.4° |
| N8 | C9 | N10 | C12 | 178.8° | 180.0° |
| N8 | C9 | C26 | O24 | 132.3° | 90.0° |
| N8 | C9 | C26 | H43 | 12.5° | 150.0° |
| N8 | C9 | C26 | H42 | 107.8° | 29.9° |
| C9 | N10 | C11 | C7 | 1.2° | 0.4° |
| C9 | N10 | C11 | C12 | 179.6° | 179.6° |
| N10 | C9 | C26 | O24 | 50.3° | 89.7° |
| C9 | N10 | C11 | H32 | 178.8° | 179.8° |
| N10 | C9 | C26 | H43 | 170.1° | 30.3° |
| N10 | C9 | C26 | H42 | 69.6° | 150.3° |
| C9 | N10 | C12 | H33 | 180.0° | 89.9° |
| C9 | N10 | C12 | H34 | 60.0° | 150.0° |
| C9 | N10 | C12 | H35 | 60.0° | 30.0° |
| C7 | C11 | N10 | H32 | 180.0° | 179.8° |
| C7 | C11 | N10 | C12 | 179.2° | 180.0° |
| C11 | N10 | C9 | C26 | 179.3° | 179.8° |
| C11 | N10 | C12 | H33 | 0.5° | 90.5° |
| C11 | N10 | C12 | H34 | 119.5° | 29.5° |
| C11 | N10 | C12 | H35 | 120.5° | 149.5° |
| C12 | N10 | C9 | C26 | 1.1° | 0.2° |
| C12 | N10 | C11 | H32 | 0.8° | 0.2° |
| N10 | C12 | H33 | H34 | 120.0° | 120.0° |
| N10 | C12 | H33 | H35 | 120.0° | 119.9° |
| N10 | C12 | H34 | H35 | 120.0° | 120.0° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C15 | C14 | C17 | H36 | 180.0° | 180.0° |
| C15 | C14 | C17 | C18 | 1.6° | 0.5° |
| C14 | C15 | C16 | C19 | 0.1° | 0.2° |
| C14 | C15 | C16 | H37 | 179.9° | 179.8° |
| C15 | C14 | C17 | H38 | 178.4° | 179.7° |
| C16 | C15 | C14 | C17 | 0.9° | 0.0° |
| C15 | C16 | C19 | H37 | 180.0° | 180.0° |
| C15 | C16 | C19 | C18 | 0.0° | 0.0° |
| C15 | C16 | C19 | N20 | 179.6° | 180.0° |
| C16 | C15 | C14 | H36 | 179.1° | 180.0° |
| C14 | C17 | C18 | H38 | 180.0° | 179.2° |
| C14 | C17 | C18 | C19 | 1.6° | 0.8° |
| C14 | C17 | C18 | N23 | 177.7° | 179.3° |
| C17 | C14 | C15 | H1 | 179.1° | 179.7° |
| C17 | C18 | C19 | C16 | 0.8° | 0.5° |
| C17 | C18 | C19 | N23 | 179.2° | 180.0° |
| C17 | C18 | C19 | N20 | 179.6° | 179.5° |
| C17 | C18 | N23 | C22 | 179.7° | 179.1° |
| C18 | C17 | C14 | H36 | 178.4° | 179.5° |
| C16 | C19 | C18 | N20 | 179.6° | 179.9° |
| C16 | C19 | N20 | C21 | 177.0° | 180.0° |
| C16 | C19 | C18 | N23 | 178.5° | 179.5° |
| C19 | C16 | C15 | H1 | 179.9° | 180.0° |
| C18 | C19 | N20 | C21 | 2.6° | 0.1° |
| C19 | C18 | N23 | C22 | 0.4° | 0.9° |
| C18 | C19 | C16 | H37 | 179.9° | 180.0° |
| C19 | C18 | C17 | H38 | 178.4° | 180.0° |
| C19 | N20 | C21 | C22 | 3.3° | 0.0° |
| N20 | C19 | C18 | N23 | 1.1° | 0.4° |
| C19 | N20 | C21 | O24 | 178.2° | 179.5° |
| N20 | C19 | C16 | H37 | 0.3° | 0.1° |
| N20 | C21 | C22 | O24 | 178.5° | 179.6° |
| N20 | C21 | C22 | N23 | 2.8° | 0.4° |
| N20 | C21 | O24 | C26 | 1.5° | 0.4° |
| N20 | C21 | C22 | CL13 | 180.0° | 179.5° |
| C21 | C22 | N23 | C18 | 1.1° | 0.9° |
| C21 | C22 | N23 | CL13 | 177.2° | 180.0° |
| C22 | C21 | O24 | C26 | 180.0° | 180.0° |
| N23 | C18 | C17 | H38 | 2.3° | 0.1° |
| C18 | N23 | C22 | CL13 | 178.3° | 179.1° |
| N23 | C22 | C21 | O24 | 178.8° | 180.0° |
| C21 | O24 | C26 | C9 | 173.9° | 180.0° |
| C21 | O24 | C26 | H43 | 54.0° | 59.9° |
| C21 | O24 | C26 | H42 | 66.3° | 60.1° |
| O24 | C21 | C22 | CL13 | 1.5° | 0.0° |
| C9 | C26 | O24 | H43 | 119.8° | 120.0° |
| C9 | C26 | O24 | H42 | 119.8° | 120.0° |
| C9 | C26 | H43 | H42 | 120.5° | 120.0° |
| O24 | C26 | H43 | H42 | 120.5° | 120.0° |
| H1 | C15 | C16 | H37 | 0.1° | 0.0° |
| H1 | C15 | C14 | H36 | 0.9° | 0.3° |
| H38 | C17 | C14 | H36 | 1.6° | 0.3° |
| H27 | C1 | C2 | H28 | 1.2° | 0.3° |
| H27 | C1 | C6 | H31 | 1.4° | 0.3° |
| H29 | C4 | C5 | H30 | 1.9° | 0.1° |
| H30 | C5 | C6 | H31 | 2.9° | 0.1° |
| H33 | C12 | H34 | H35 | 120.0° | 120.0° |
