6A6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| N26 | C25 | sing | 1.40Å | 1.40Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.53Å | |
| C25 | N24 | doub | 1.31Å | 1.31Å | Aromatic |
| C25 | C19 | sing | 1.47Å | 1.45Å | Aromatic |
| N24 | N23 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | N14 | sing | 1.47Å | 1.51Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | N14 | sing | 1.47Å | 1.49Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| N14 | C15 | sing | 1.35Å | 1.38Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| N23 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C17 | sing | 1.48Å | 1.49Å | |
| C15 | O16 | doub | 1.22Å | 1.22Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C17 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| N23 | H17 | sing | 0.97Å | 1.00Å | |
| N26 | H18 | sing | 0.97Å | 1.00Å | |
| N26 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | C3 | 120.8° | 120.0° |
| F1 | C2 | C7 | 119.7° | 120.0° |
| C3 | C2 | C7 | 119.5° | 120.0° |
| C2 | C3 | C4 | 120.7° | 119.9° |
| C2 | C3 | H1 | 119.7° | 120.0° |
| C2 | C7 | C6 | 119.7° | 119.9° |
| C2 | C7 | H4 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C4 | C3 | H1 | 119.6° | 120.0° |
| C3 | C4 | H2 | 119.7° | 120.0° |
| C7 | C6 | C5 | 121.7° | 120.0° |
| C7 | C6 | H3 | 119.2° | 120.0° |
| C6 | C7 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | 117.9° | 120.1° |
| C4 | C5 | C8 | 121.4° | 119.9° |
| C5 | C4 | H2 | 119.8° | 120.0° |
| N26 | C25 | N24 | 128.2° | 126.2° |
| N26 | C25 | C19 | 124.9° | 126.3° |
| C25 | N26 | H18 | 109.5° | 120.1° |
| C25 | N26 | H19 | 109.5° | 120.0° |
| C6 | C5 | C8 | 120.7° | 120.0° |
| C5 | C6 | H3 | 119.1° | 120.0° |
| C5 | C8 | N14 | 115.4° | 109.6° |
| C5 | C8 | C10 | 109.8° | 109.6° |
| C5 | C8 | H5 | 107.4° | 109.6° |
| N24 | C25 | C19 | 106.8° | 107.5° |
| C25 | N24 | N23 | 110.3° | 110.1° |
| C25 | C19 | C18 | 131.9° | 133.8° |
| C25 | C19 | C20 | 107.8° | 106.3° |
| N24 | N23 | C20 | 109.4° | 109.3° |
| N24 | N23 | H17 | 125.3° | 125.3° |
| N14 | C8 | C10 | 109.1° | 108.8° |
| C8 | N14 | C13 | 114.6° | 118.7° |
| C8 | N14 | C15 | 125.2° | 120.7° |
| N14 | C8 | H5 | 107.7° | 109.6° |
| C8 | C10 | C11 | 110.4° | 109.3° |
| C10 | C8 | H5 | 107.2° | 109.7° |
| C8 | C10 | H12 | 109.3° | 109.5° |
| C8 | C10 | H13 | 109.2° | 109.5° |
| C19 | C18 | C17 | 121.0° | 119.4° |
| C18 | C19 | C20 | 120.3° | 119.9° |
| C19 | C18 | H10 | 119.5° | 120.3° |
| C18 | C17 | C15 | 118.4° | 119.9° |
| C18 | C17 | C22 | 118.9° | 120.2° |
| C17 | C18 | H10 | 119.5° | 120.3° |
| C19 | C20 | N23 | 105.6° | 106.8° |
| C19 | C20 | C21 | 118.9° | 119.7° |
| N14 | C13 | C12 | 110.3° | 108.8° |
| C13 | N14 | C15 | 120.2° | 120.6° |
| N14 | C13 | H14 | 109.3° | 109.6° |
| N14 | C13 | H15 | 109.3° | 109.6° |
| C13 | C12 | C11 | 109.6° | 109.3° |
| C13 | C12 | H8 | 109.4° | 109.5° |
| C13 | C12 | H9 | 109.4° | 109.5° |
| C12 | C13 | H14 | 109.3° | 109.6° |
| C12 | C13 | H15 | 109.3° | 109.6° |
| N14 | C15 | C17 | 123.4° | 120.0° |
| N14 | C15 | O16 | 120.7° | 120.0° |
| C10 | C11 | C12 | 109.9° | 109.5° |
| C10 | C11 | H6 | 109.4° | 109.4° |
| C10 | C11 | H7 | 109.4° | 109.5° |
| C11 | C10 | H12 | 109.2° | 109.5° |
| C11 | C10 | H13 | 109.2° | 109.5° |
| N23 | C20 | C21 | 135.5° | 133.5° |
| C20 | N23 | H17 | 125.3° | 125.4° |
| C17 | C15 | O16 | 115.9° | 120.0° |
| C15 | C17 | C22 | 122.7° | 119.9° |
| C12 | C11 | H6 | 109.4° | 109.5° |
| C12 | C11 | H7 | 109.4° | 109.5° |
| C11 | C12 | H8 | 109.4° | 109.5° |
| C11 | C12 | H9 | 109.4° | 109.5° |
| C17 | C22 | C21 | 120.5° | 120.6° |
| C17 | C22 | H16 | 119.8° | 119.7° |
| C20 | C21 | C22 | 120.5° | 120.2° |
| C20 | C21 | H11 | 119.8° | 119.9° |
| C22 | C21 | H11 | 119.8° | 119.9° |
| C21 | C22 | H16 | 119.7° | 119.7° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.7° |
| H18 | N26 | H19 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | C3 | C7 | 179.9° | 179.8° |
| F1 | C2 | C3 | C4 | 179.8° | 179.7° |
| F1 | C2 | C7 | C6 | 179.9° | 179.7° |
| F1 | C2 | C3 | H1 | 0.2° | 0.2° |
| F1 | C2 | C7 | H4 | 0.1° | 0.2° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 0.3° | 0.1° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H2 | 179.7° | 180.0° |
| C3 | C2 | C7 | H4 | 179.7° | 180.0° |
| C7 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C7 | C6 | H4 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.9° | 0.1° |
| C7 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C7 | C6 | H3 | 179.0° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C3 | C4 | C5 | C8 | 179.6° | 180.0° |
| C7 | C6 | C5 | C4 | 1.2° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | C8 | 179.9° | 179.9° |
| C4 | C5 | C6 | C8 | 178.7° | 180.0° |
| C4 | C5 | C8 | N14 | 21.6° | 106.7° |
| C4 | C5 | C8 | C10 | 145.3° | 134.1° |
| C5 | C4 | C3 | H1 | 179.7° | 180.0° |
| C4 | C5 | C6 | H3 | 178.7° | 180.0° |
| C4 | C5 | C8 | H5 | 98.4° | 13.6° |
| N26 | C25 | N24 | C19 | 179.0° | 180.0° |
| N26 | C25 | N24 | N23 | 179.8° | 180.0° |
| N26 | C25 | C19 | C18 | 0.8° | 0.0° |
| N26 | C25 | C19 | C20 | 179.6° | 180.0° |
| C25 | N26 | H18 | H19 | 120.0° | 180.0° |
| C6 | C5 | C8 | N14 | 159.7° | 73.4° |
| C6 | C5 | C8 | C10 | 36.0° | 45.9° |
| C6 | C5 | C4 | H2 | 179.1° | 180.0° |
| C5 | C6 | C7 | H4 | 179.1° | 180.0° |
| C6 | C5 | C8 | H5 | 80.2° | 166.3° |
| C5 | C8 | N14 | C10 | 124.1° | 119.7° |
| C5 | C8 | N14 | H5 | 119.9° | 120.3° |
| C5 | C8 | C10 | H5 | 116.3° | 120.4° |
| C5 | C8 | N14 | C13 | 71.4° | 173.4° |
| C5 | C8 | N14 | C15 | 110.6° | 6.6° |
| C5 | C8 | C10 | C11 | 134.3° | 174.4° |
| C8 | C5 | C4 | H2 | 0.4° | 0.0° |
| C8 | C5 | C6 | H3 | 0.1° | 0.0° |
| C5 | C8 | C10 | H12 | 14.2° | 54.4° |
| C5 | C8 | C10 | H13 | 105.6° | 65.7° |
| N24 | C25 | C19 | C18 | 179.8° | 180.0° |
| N24 | C25 | C19 | C20 | 0.6° | 0.0° |
| C25 | N24 | N23 | C20 | 0.8° | 0.0° |
| C25 | N24 | N23 | H17 | 179.2° | 179.9° |
| N24 | C25 | N26 | H18 | 0.0° | 0.0° |
| N24 | C25 | N26 | H19 | 120.0° | 180.0° |
| C19 | C25 | N24 | N23 | 0.8° | 0.0° |
| C25 | C19 | C18 | C20 | 179.6° | 180.0° |
| C25 | C19 | C18 | C17 | 178.9° | 180.0° |
| C25 | C19 | C20 | N23 | 0.2° | 0.0° |
| C25 | C19 | C20 | C21 | 179.9° | 180.0° |
| C25 | C19 | C18 | H10 | 1.1° | 0.0° |
| C19 | C25 | N26 | H18 | 178.8° | 180.0° |
| C19 | C25 | N26 | H19 | 58.8° | 0.0° |
| N24 | N23 | C20 | C19 | 0.3° | 0.0° |
| N24 | N23 | C20 | H17 | 180.0° | 179.9° |
| N24 | N23 | C20 | C21 | 179.6° | 180.0° |
| N14 | C8 | C10 | H5 | 116.3° | 119.9° |
| C8 | N14 | C13 | C15 | 178.1° | 180.0° |
| C8 | N14 | C13 | C12 | 56.4° | 53.6° |
| N14 | C8 | C10 | C11 | 7.0° | 54.7° |
| C8 | N14 | C15 | C17 | 2.1° | 178.7° |
| C8 | N14 | C15 | O16 | 178.4° | 1.3° |
| N14 | C8 | C10 | H12 | 113.1° | 65.3° |
| N14 | C8 | C10 | H13 | 127.1° | 174.6° |
| C8 | N14 | C13 | H14 | 176.5° | 173.4° |
| C8 | N14 | C13 | H15 | 63.8° | 66.2° |
| C10 | C8 | N14 | C13 | 52.7° | 53.6° |
| C10 | C8 | N14 | C15 | 125.3° | 126.3° |
| C8 | C10 | C11 | H12 | 120.2° | 120.0° |
| C8 | C10 | C11 | H13 | 120.1° | 119.9° |
| C8 | C10 | C11 | C12 | 61.9° | 61.4° |
| C8 | C10 | C11 | H6 | 178.1° | 58.6° |
| C8 | C10 | C11 | H7 | 58.2° | 178.6° |
| C8 | C10 | H12 | H13 | 119.6° | 120.1° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C18 | C19 | C20 | N23 | 179.8° | 180.0° |
| C19 | C18 | C17 | C15 | 179.0° | 180.0° |
| C19 | C18 | C17 | C22 | 1.9° | 0.3° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | C20 | 1.5° | 0.0° |
| C18 | C17 | C15 | N14 | 48.5° | 149.1° |
| C18 | C17 | C15 | C22 | 179.0° | 179.8° |
| C18 | C17 | C15 | O16 | 131.0° | 30.9° |
| C18 | C17 | C22 | C21 | 1.0° | 0.5° |
| C18 | C17 | C22 | H16 | 179.0° | 179.7° |
| C19 | C20 | N23 | C21 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.6° | 0.3° |
| C20 | C19 | C18 | H10 | 178.5° | 180.0° |
| C19 | C20 | C21 | H11 | 179.4° | 180.0° |
| C19 | C20 | N23 | H17 | 179.6° | 179.9° |
| N14 | C13 | C12 | H14 | 120.1° | 119.8° |
| N14 | C13 | C12 | H15 | 120.1° | 119.8° |
| C13 | N14 | C15 | C17 | 180.0° | 1.4° |
| C13 | N14 | C15 | O16 | 0.5° | 178.6° |
| N14 | C13 | C12 | C11 | 0.5° | 54.6° |
| C13 | N14 | C8 | H5 | 168.8° | 66.3° |
| N14 | C13 | C12 | H8 | 120.5° | 65.3° |
| N14 | C13 | C12 | H9 | 119.5° | 174.6° |
| N14 | C13 | H14 | H15 | 119.6° | 120.3° |
| C12 | C13 | N14 | C15 | 121.7° | 126.4° |
| C13 | C12 | C11 | C10 | 58.3° | 61.4° |
| C13 | C12 | C11 | H8 | 120.0° | 119.9° |
| C13 | C12 | C11 | H9 | 120.0° | 120.0° |
| C13 | C12 | C11 | H6 | 178.3° | 58.6° |
| C13 | C12 | C11 | H7 | 61.8° | 178.7° |
| C13 | C12 | H8 | H9 | 119.9° | 120.1° |
| C12 | C13 | H14 | H15 | 119.6° | 120.3° |
| N14 | C15 | C17 | O16 | 179.6° | 180.0° |
| N14 | C15 | C17 | C22 | 132.4° | 30.6° |
| C15 | N14 | C8 | H5 | 9.2° | 113.7° |
| C15 | N14 | C13 | H14 | 1.6° | 6.6° |
| C15 | N14 | C13 | H15 | 118.1° | 113.8° |
| C10 | C11 | C12 | H6 | 120.1° | 120.0° |
| C10 | C11 | C12 | H7 | 120.1° | 120.0° |
| C11 | C10 | C8 | H5 | 109.3° | 65.2° |
| C10 | C11 | H6 | H7 | 119.8° | 120.0° |
| C10 | C11 | C12 | H8 | 178.3° | 58.6° |
| C10 | C11 | C12 | H9 | 61.7° | 178.6° |
| C11 | C10 | H12 | H13 | 119.6° | 120.0° |
| N23 | C20 | C21 | C22 | 179.3° | 179.7° |
| N23 | C20 | C21 | H11 | 0.7° | 0.0° |
| C15 | C17 | C22 | C21 | 179.9° | 179.7° |
| C15 | C17 | C18 | H10 | 1.0° | 0.0° |
| C15 | C17 | C22 | H16 | 0.1° | 0.1° |
| O16 | C15 | C17 | C22 | 48.0° | 149.3° |
| C12 | C11 | H6 | H7 | 119.8° | 120.0° |
| C11 | C12 | H8 | H9 | 119.9° | 120.1° |
| C12 | C11 | C10 | H12 | 58.3° | 58.6° |
| C12 | C11 | C10 | H13 | 178.0° | 178.7° |
| C11 | C12 | C13 | H14 | 119.6° | 174.4° |
| C11 | C12 | C13 | H15 | 120.6° | 65.2° |
| C17 | C22 | C21 | C20 | 0.2° | 0.5° |
| C17 | C22 | C21 | H16 | 180.0° | 179.8° |
| C22 | C17 | C18 | H10 | 178.1° | 179.8° |
| C17 | C22 | C21 | H11 | 179.8° | 179.7° |
| C20 | C21 | C22 | H11 | 180.0° | 179.7° |
| C20 | C21 | C22 | H16 | 179.8° | 179.7° |
| C21 | C20 | N23 | H17 | 0.4° | 0.1° |
| H1 | C3 | C4 | H2 | 0.3° | 0.0° |
| H3 | C6 | C7 | H4 | 0.9° | 0.1° |
| H5 | C8 | C10 | H12 | 130.5° | 174.8° |
| H5 | C8 | C10 | H13 | 10.8° | 54.7° |
| H6 | C11 | C12 | H8 | 61.6° | 178.6° |
| H6 | C11 | C12 | H9 | 58.3° | 61.4° |
| H6 | C11 | C10 | H12 | 61.8° | 178.6° |
| H6 | C11 | C10 | H13 | 57.9° | 61.3° |
| H7 | C11 | C12 | H8 | 58.2° | 61.4° |
| H7 | C11 | C12 | H9 | 178.2° | 58.6° |
| H7 | C11 | C10 | H12 | 178.3° | 61.4° |
| H7 | C11 | C10 | H13 | 61.9° | 58.7° |
| H8 | C12 | C13 | H14 | 0.4° | 54.5° |
| H8 | C12 | C13 | H15 | 119.3° | 174.9° |
| H9 | C12 | C13 | H14 | 120.3° | 65.6° |
| H9 | C12 | C13 | H15 | 0.6° | 54.8° |
| H11 | C21 | C22 | H16 | 0.2° | 0.0° |
