QO7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | N04 | doub | 1.30Å | 1.34Å | Aromatic |
| C03 | N02 | sing | 1.36Å | 1.33Å | Aromatic |
| N04 | C05 | sing | 1.36Å | 1.36Å | Aromatic |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| N02 | C06 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.41Å | 1.36Å | Aromatic |
| C05 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.43Å | Aromatic |
| F11 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.40Å | Aromatic |
| C09 | N12 | sing | 1.40Å | 1.46Å | |
| C08 | C21 | sing | 1.47Å | 1.54Å | |
| N12 | C13 | sing | 1.40Å | 1.46Å | |
| C25 | O24 | sing | 1.43Å | 1.41Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| O24 | N23 | sing | 1.42Å | 1.41Å | |
| C21 | N23 | sing | 1.35Å | 1.46Å | |
| C21 | O22 | doub | 1.22Å | 1.18Å | |
| C13 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | O27 | sing | 1.43Å | 1.40Å | |
| F20 | C14 | sing | 1.35Å | 1.37Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | BR19 | sing | 1.89Å | 1.94Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| N23 | H14 | sing | 0.97Å | 1.00Å | |
| O27 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N04 | C03 | N02 | 108.6° | 110.1° |
| C03 | N04 | C05 | 108.2° | 109.8° |
| N04 | C03 | H7 | 125.7° | 124.9° |
| C03 | N02 | C01 | 125.3° | 126.3° |
| C03 | N02 | C06 | 109.0° | 107.3° |
| N02 | C03 | H7 | 125.7° | 124.9° |
| N04 | C05 | C06 | 107.5° | 106.9° |
| N04 | C05 | C10 | 132.5° | 133.3° |
| C01 | N02 | C06 | 125.8° | 126.4° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C06 | C05 | 106.6° | 105.9° |
| N02 | C06 | C07 | 133.4° | 133.8° |
| C06 | C05 | C10 | 120.0° | 119.8° |
| C05 | C06 | C07 | 119.9° | 120.3° |
| C05 | C10 | F11 | 119.7° | 120.1° |
| C05 | C10 | C09 | 119.9° | 119.8° |
| C06 | C07 | C08 | 120.1° | 119.8° |
| C06 | C07 | H8 | 120.0° | 120.1° |
| F11 | C10 | C09 | 120.4° | 120.1° |
| C10 | C09 | C08 | 120.4° | 120.2° |
| C10 | C09 | N12 | 121.5° | 119.9° |
| C07 | C08 | C09 | 119.7° | 120.1° |
| C07 | C08 | C21 | 123.5° | 119.9° |
| C08 | C07 | H8 | 120.0° | 120.1° |
| C08 | C09 | N12 | 118.0° | 120.0° |
| C09 | C08 | C21 | 116.8° | 120.0° |
| C09 | N12 | C13 | 127.7° | 119.9° |
| C09 | N12 | H13 | 116.2° | 120.0° |
| C08 | C21 | N23 | 124.6° | 120.0° |
| C08 | C21 | O22 | 117.6° | 120.0° |
| N12 | C13 | C18 | 122.3° | 120.2° |
| N12 | C13 | C14 | 117.6° | 120.0° |
| C13 | N12 | H13 | 116.1° | 120.1° |
| O24 | C25 | C26 | 109.9° | 109.4° |
| C25 | O24 | N23 | 110.0° | 114.0° |
| O24 | C25 | H9 | 109.3° | 109.6° |
| O24 | C25 | H10 | 109.4° | 109.5° |
| C25 | C26 | O27 | 108.4° | 109.5° |
| C26 | C25 | H9 | 109.4° | 109.5° |
| C26 | C25 | H10 | 109.4° | 109.4° |
| C25 | C26 | H11 | 109.7° | 109.5° |
| C25 | C26 | H12 | 109.7° | 109.4° |
| O24 | N23 | C21 | 124.3° | 120.0° |
| O24 | N23 | H14 | 117.9° | 120.0° |
| N23 | C21 | O22 | 117.8° | 120.0° |
| C21 | N23 | H14 | 117.9° | 120.0° |
| C18 | C13 | C14 | 120.1° | 119.8° |
| C13 | C18 | C17 | 119.6° | 120.0° |
| C13 | C18 | H3 | 120.2° | 120.0° |
| C13 | C14 | F20 | 119.9° | 120.1° |
| C13 | C14 | C15 | 120.3° | 119.9° |
| C18 | C17 | C16 | 120.1° | 120.1° |
| C18 | C17 | H2 | 120.0° | 120.0° |
| C17 | C18 | H3 | 120.2° | 120.0° |
| O27 | C26 | H11 | 109.7° | 109.5° |
| O27 | C26 | H12 | 109.7° | 109.5° |
| C26 | O27 | H15 | 109.5° | 114.0° |
| F20 | C14 | C15 | 119.8° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.0° |
| C14 | C15 | H1 | 120.1° | 120.0° |
| C17 | C16 | C15 | 120.3° | 120.2° |
| C17 | C16 | BR19 | 120.7° | 119.9° |
| C16 | C17 | H2 | 120.0° | 120.0° |
| C15 | C16 | BR19 | 119.0° | 119.9° |
| C16 | C15 | H1 | 120.2° | 119.9° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H9 | C25 | H10 | 109.4° | 109.5° |
| H11 | C26 | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | C03 | N02 | H7 | 180.0° | 179.7° |
| N04 | C03 | N02 | C01 | 180.0° | 180.0° |
| N04 | C03 | N02 | C06 | 0.1° | 0.0° |
| C03 | N04 | C05 | C06 | 0.1° | 0.0° |
| C03 | N04 | C05 | C10 | 180.0° | 180.0° |
| N02 | C03 | N04 | C05 | 0.1° | 0.0° |
| C03 | N02 | C01 | C06 | 179.9° | 180.0° |
| C03 | N02 | C06 | C05 | 0.1° | 0.0° |
| C03 | N02 | C06 | C07 | 180.0° | 180.0° |
| C03 | N02 | C01 | H4 | 180.0° | 90.0° |
| C03 | N02 | C01 | H5 | 60.0° | 150.0° |
| C03 | N02 | C01 | H6 | 60.0° | 29.9° |
| N04 | C05 | C06 | N02 | 0.0° | 0.0° |
| N04 | C05 | C06 | C10 | 179.9° | 180.0° |
| N04 | C05 | C06 | C07 | 180.0° | 179.9° |
| N04 | C05 | C10 | F11 | 0.1° | 0.0° |
| N04 | C05 | C10 | C09 | 179.4° | 180.0° |
| C05 | N04 | C03 | H7 | 179.9° | 179.7° |
| C01 | N02 | C06 | C05 | 180.0° | 180.0° |
| C01 | N02 | C06 | C07 | 0.0° | 0.0° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | N02 | C03 | H7 | 0.0° | 0.3° |
| N02 | C06 | C05 | C07 | 180.0° | 180.0° |
| N02 | C06 | C05 | C10 | 179.9° | 180.0° |
| N02 | C06 | C07 | C08 | 179.9° | 180.0° |
| C06 | N02 | C01 | H4 | 0.1° | 90.0° |
| C06 | N02 | C01 | H5 | 119.9° | 30.0° |
| C06 | N02 | C01 | H6 | 120.1° | 150.0° |
| C06 | N02 | C03 | H7 | 179.9° | 179.7° |
| N02 | C06 | C07 | H8 | 0.1° | 0.0° |
| C06 | C05 | C10 | F11 | 180.0° | 180.0° |
| C06 | C05 | C10 | C09 | 0.6° | 0.0° |
| C05 | C06 | C07 | C08 | 0.1° | 0.1° |
| C05 | C06 | C07 | H8 | 179.9° | 180.0° |
| C10 | C05 | C06 | C07 | 0.0° | 0.0° |
| C05 | C10 | F11 | C09 | 179.4° | 180.0° |
| C05 | C10 | C09 | C08 | 1.1° | 0.0° |
| C05 | C10 | C09 | N12 | 178.9° | 180.0° |
| C06 | C07 | C08 | H8 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.4° | 0.1° |
| C06 | C07 | C08 | C21 | 179.7° | 180.0° |
| F11 | C10 | C09 | C08 | 179.5° | 180.0° |
| F11 | C10 | C09 | N12 | 1.7° | 0.0° |
| C10 | C09 | C08 | C07 | 1.0° | 0.1° |
| C10 | C09 | C08 | N12 | 177.8° | 180.0° |
| C10 | C09 | C08 | C21 | 179.0° | 180.0° |
| C10 | C09 | N12 | C13 | 69.1° | 82.2° |
| C10 | C09 | N12 | H13 | 110.9° | 97.9° |
| C07 | C08 | C09 | C21 | 180.0° | 179.9° |
| C07 | C08 | C09 | N12 | 178.8° | 180.0° |
| C07 | C08 | C21 | N23 | 0.1° | 4.5° |
| C07 | C08 | C21 | O22 | 179.2° | 175.6° |
| C08 | C09 | N12 | C13 | 113.1° | 97.9° |
| C09 | C08 | C21 | N23 | 179.8° | 175.6° |
| C09 | C08 | C21 | O22 | 0.8° | 4.4° |
| C09 | C08 | C07 | H8 | 179.6° | 180.0° |
| C08 | C09 | N12 | H13 | 66.8° | 82.1° |
| N12 | C09 | C08 | C21 | 1.2° | 0.0° |
| C09 | N12 | C13 | H13 | 180.0° | 179.9° |
| C09 | N12 | C13 | C18 | 31.1° | 4.1° |
| C09 | N12 | C13 | C14 | 150.3° | 176.1° |
| C08 | C21 | N23 | O24 | 0.3° | 180.0° |
| C08 | C21 | N23 | O22 | 179.4° | 180.0° |
| C21 | C08 | C07 | H8 | 0.3° | 0.0° |
| C08 | C21 | N23 | H14 | 179.7° | 0.1° |
| N12 | C13 | C18 | C14 | 178.6° | 179.7° |
| N12 | C13 | C18 | C17 | 179.2° | 179.7° |
| N12 | C13 | C14 | F20 | 1.0° | 0.3° |
| N12 | C13 | C14 | C15 | 179.2° | 179.7° |
| N12 | C13 | C18 | H3 | 0.8° | 0.2° |
| O24 | C25 | C26 | H9 | 120.1° | 120.1° |
| O24 | C25 | C26 | H10 | 120.1° | 120.0° |
| C25 | O24 | N23 | C21 | 146.4° | 180.0° |
| O24 | C25 | C26 | O27 | 151.6° | 65.0° |
| O24 | C25 | H9 | H10 | 119.8° | 120.0° |
| O24 | C25 | C26 | H11 | 88.5° | 175.0° |
| O24 | C25 | C26 | H12 | 31.7° | 55.1° |
| C25 | O24 | N23 | H14 | 33.6° | 0.1° |
| C26 | C25 | O24 | N23 | 28.2° | 180.0° |
| C25 | C26 | O27 | H11 | 119.8° | 120.0° |
| C25 | C26 | O27 | H12 | 119.9° | 119.9° |
| C26 | C25 | H9 | H10 | 119.8° | 119.9° |
| C25 | C26 | H11 | H12 | 120.5° | 119.9° |
| C25 | C26 | O27 | H15 | 180.0° | 180.0° |
| O24 | N23 | C21 | H14 | 180.0° | 179.9° |
| O24 | N23 | C21 | O22 | 179.7° | 0.1° |
| N23 | O24 | C25 | H9 | 148.3° | 60.0° |
| N23 | O24 | C25 | H10 | 91.9° | 60.1° |
| O22 | C21 | N23 | H14 | 0.3° | 180.0° |
| C13 | C18 | C17 | H3 | 180.0° | 179.9° |
| C18 | C13 | C14 | F20 | 179.6° | 179.9° |
| C18 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C18 | C17 | C16 | 0.3° | 0.1° |
| C13 | C18 | C17 | H2 | 179.7° | 180.0° |
| C18 | C13 | N12 | H13 | 148.9° | 175.9° |
| C14 | C13 | C18 | C17 | 0.6° | 0.0° |
| C13 | C14 | F20 | C15 | 179.8° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H1 | 179.8° | 180.0° |
| C14 | C13 | C18 | H3 | 179.4° | 179.9° |
| C14 | C13 | N12 | H13 | 29.7° | 3.8° |
| C18 | C17 | C16 | H2 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.0° | 0.1° |
| C18 | C17 | C16 | BR19 | 179.9° | 180.0° |
| O27 | C26 | C25 | H9 | 31.5° | 175.0° |
| O27 | C26 | C25 | H10 | 88.3° | 55.0° |
| O27 | C26 | H11 | H12 | 120.5° | 120.1° |
| F20 | C14 | C15 | C16 | 180.0° | 179.9° |
| F20 | C14 | C15 | H1 | 0.0° | 0.1° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H1 | 180.0° | 180.0° |
| C14 | C15 | C16 | BR19 | 179.9° | 180.0° |
| C17 | C16 | C15 | BR19 | 179.9° | 180.0° |
| C17 | C16 | C15 | H1 | 179.9° | 180.0° |
| C16 | C17 | C18 | H3 | 179.7° | 179.9° |
| C15 | C16 | C17 | H2 | 180.0° | 180.0° |
| BR19 | C16 | C15 | H1 | 0.1° | 0.0° |
| BR19 | C16 | C17 | H2 | 0.1° | 0.0° |
| H2 | C17 | C18 | H3 | 0.3° | 0.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H9 | C25 | C26 | H11 | 151.4° | 54.9° |
| H9 | C25 | C26 | H12 | 88.3° | 65.0° |
| H10 | C25 | C26 | H11 | 31.6° | 65.0° |
| H10 | C25 | C26 | H12 | 151.8° | 175.0° |
| H11 | C26 | O27 | H15 | 60.2° | 60.0° |
| H12 | C26 | O27 | H15 | 60.2° | 60.0° |
