7QF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C16 | sing | 1.43Å | 1.44Å | |
| O | C13 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C13 | C11 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N2 | sing | 1.47Å | 1.47Å | |
| C15 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C3 | sing | 1.48Å | 1.48Å | |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.43Å | 1.44Å | |
| C | N | sing | 1.39Å | 1.39Å | |
| C6 | N1 | trip | 1.14Å | 1.13Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O | C13 | 111.0° | 113.8° |
| O | C16 | C15 | 110.7° | 109.2° |
| O | C16 | H6 | 109.2° | 109.6° |
| O | C16 | H7 | 109.2° | 109.5° |
| O | C13 | C11 | 108.6° | 109.5° |
| O | C13 | C14 | 110.2° | 109.3° |
| O | C13 | H8 | 109.0° | 109.5° |
| C16 | C15 | N2 | 110.3° | 109.3° |
| C16 | C15 | H4 | 109.3° | 109.6° |
| C16 | C15 | H5 | 109.3° | 109.5° |
| C15 | C16 | H6 | 109.1° | 109.5° |
| C15 | C16 | H7 | 109.2° | 109.5° |
| C11 | C13 | C14 | 113.0° | 109.5° |
| C13 | C11 | C10 | 122.6° | 120.0° |
| C13 | C11 | C12 | 118.0° | 119.9° |
| C11 | C13 | H8 | 108.0° | 109.5° |
| C13 | C14 | N2 | 111.0° | 109.3° |
| C13 | C14 | H2 | 109.1° | 109.5° |
| C13 | C14 | H3 | 109.1° | 109.5° |
| C14 | C13 | H8 | 107.9° | 109.5° |
| C11 | C10 | C9 | 120.4° | 120.3° |
| C10 | C11 | C12 | 119.2° | 120.1° |
| C11 | C10 | H12 | 119.8° | 119.8° |
| C10 | C9 | C8 | 120.0° | 120.1° |
| C10 | C9 | H11 | 120.0° | 119.9° |
| C9 | C10 | H12 | 119.8° | 119.9° |
| C11 | C12 | C7 | 121.2° | 119.8° |
| C11 | C12 | H9 | 119.4° | 120.1° |
| C9 | C8 | C7 | 120.6° | 119.9° |
| C9 | C8 | H10 | 119.7° | 120.0° |
| C8 | C9 | H11 | 120.0° | 120.0° |
| C14 | N2 | C15 | 109.2° | 110.7° |
| N2 | C14 | H2 | 109.1° | 109.5° |
| N2 | C14 | H3 | 109.1° | 109.5° |
| C14 | N2 | H17 | 109.5° | 111.0° |
| N2 | C15 | H4 | 109.3° | 109.5° |
| N2 | C15 | H5 | 109.3° | 109.5° |
| C15 | N2 | H17 | 109.5° | 111.0° |
| C12 | C7 | C8 | 118.6° | 119.8° |
| C12 | C7 | C3 | 120.0° | 120.1° |
| C7 | C12 | H9 | 119.5° | 120.1° |
| C8 | C7 | C3 | 121.4° | 120.1° |
| C7 | C8 | H10 | 119.7° | 120.1° |
| C7 | C3 | C2 | 121.1° | 120.0° |
| C7 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | C4 | 118.0° | 120.0° |
| C3 | C2 | C1 | 121.4° | 120.3° |
| C3 | C2 | H14 | 119.3° | 119.8° |
| C3 | C4 | C5 | 120.9° | 119.8° |
| C3 | C4 | H13 | 119.6° | 120.1° |
| C2 | C1 | C | 121.4° | 120.2° |
| C2 | C1 | H1 | 119.3° | 119.9° |
| C1 | C2 | H14 | 119.3° | 119.8° |
| C4 | C5 | C | 121.3° | 119.7° |
| C4 | C5 | C6 | 118.8° | 120.1° |
| C5 | C4 | H13 | 119.6° | 120.1° |
| C1 | C | C5 | 117.0° | 119.9° |
| C1 | C | N | 121.4° | 120.1° |
| C | C1 | H1 | 119.3° | 119.9° |
| C | C5 | C6 | 119.9° | 120.2° |
| C5 | C | N | 121.6° | 120.1° |
| C5 | C6 | N1 | 176.8° | 180.0° |
| C | N | H15 | 109.5° | 120.0° |
| C | N | H16 | 109.5° | 120.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H15 | N | H16 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C16 | C15 | H6 | 120.2° | 120.0° |
| O | C16 | C15 | H7 | 120.2° | 119.9° |
| C16 | O | C13 | C11 | 106.8° | 178.6° |
| C16 | O | C13 | C14 | 17.5° | 58.7° |
| O | C16 | C15 | N2 | 67.0° | 56.8° |
| O | C16 | C15 | H4 | 172.9° | 176.8° |
| O | C16 | C15 | H5 | 53.1° | 63.1° |
| O | C16 | H6 | H7 | 119.4° | 120.1° |
| C16 | O | C13 | H8 | 135.7° | 61.3° |
| C13 | O | C16 | C15 | 44.7° | 58.6° |
| O | C13 | C11 | C14 | 122.6° | 119.8° |
| O | C13 | C11 | H8 | 118.1° | 120.1° |
| O | C13 | C14 | H8 | 118.9° | 120.0° |
| O | C13 | C11 | C10 | 11.5° | 34.8° |
| O | C13 | C11 | C12 | 174.1° | 145.3° |
| O | C13 | C14 | N2 | 66.0° | 56.9° |
| O | C13 | C14 | H2 | 173.7° | 63.1° |
| O | C13 | C14 | H3 | 54.2° | 176.8° |
| C13 | O | C16 | H6 | 75.5° | 178.6° |
| C13 | O | C16 | H7 | 164.9° | 61.2° |
| C16 | C15 | N2 | C14 | 18.2° | 58.6° |
| C16 | C15 | N2 | H4 | 120.1° | 120.0° |
| C16 | C15 | N2 | H5 | 120.1° | 120.0° |
| C16 | C15 | H4 | H5 | 119.6° | 120.1° |
| C15 | C16 | H6 | H7 | 119.4° | 120.1° |
| C16 | C15 | N2 | H17 | 138.2° | 177.6° |
| C11 | C13 | C14 | H8 | 119.4° | 120.1° |
| C13 | C11 | C10 | C12 | 174.4° | 179.9° |
| C13 | C11 | C10 | C9 | 171.5° | 180.0° |
| C11 | C13 | C14 | N2 | 55.7° | 176.8° |
| C13 | C11 | C12 | C7 | 171.0° | 180.0° |
| C11 | C13 | C14 | H2 | 64.5° | 56.8° |
| C11 | C13 | C14 | H3 | 175.9° | 63.2° |
| C13 | C11 | C12 | H9 | 9.0° | 0.4° |
| C13 | C11 | C10 | H12 | 8.5° | 0.1° |
| C14 | C13 | C11 | C10 | 134.1° | 84.9° |
| C14 | C13 | C11 | C12 | 51.5° | 95.0° |
| C13 | C14 | N2 | H2 | 120.2° | 119.9° |
| C13 | C14 | N2 | H3 | 120.2° | 120.0° |
| C13 | C14 | N2 | C15 | 43.3° | 58.6° |
| C13 | C14 | H2 | H3 | 119.3° | 120.1° |
| C13 | C14 | N2 | H17 | 76.6° | 177.6° |
| C11 | C10 | C9 | H12 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.3° |
| C10 | C11 | C12 | C7 | 3.7° | 0.1° |
| C10 | C11 | C13 | H8 | 106.6° | 154.9° |
| C10 | C11 | C12 | H9 | 176.3° | 179.7° |
| C11 | C10 | C9 | H11 | 179.9° | 179.7° |
| C9 | C10 | C11 | C12 | 2.9° | 0.1° |
| C10 | C9 | C8 | H11 | 180.0° | 179.4° |
| C10 | C9 | C8 | C7 | 1.9° | 0.6° |
| C10 | C9 | C8 | H10 | 178.1° | 180.0° |
| C11 | C12 | C7 | H9 | 180.0° | 179.6° |
| C11 | C12 | C7 | C8 | 1.7° | 0.4° |
| C11 | C12 | C7 | C3 | 179.8° | 179.7° |
| C12 | C11 | C13 | H8 | 67.8° | 25.2° |
| C12 | C11 | C10 | H12 | 177.1° | 180.0° |
| C9 | C8 | C7 | C12 | 1.1° | 0.6° |
| C9 | C8 | C7 | H10 | 180.0° | 179.5° |
| C9 | C8 | C7 | C3 | 177.4° | 179.5° |
| C8 | C9 | C10 | H12 | 179.9° | 179.7° |
| C14 | N2 | C15 | H17 | 119.9° | 123.8° |
| N2 | C14 | H2 | H3 | 119.3° | 120.1° |
| C14 | N2 | C15 | H4 | 138.3° | 178.6° |
| C14 | N2 | C15 | H5 | 101.9° | 61.4° |
| N2 | C14 | C13 | H8 | 175.1° | 63.1° |
| C15 | N2 | C14 | H2 | 163.6° | 61.3° |
| C15 | N2 | C14 | H3 | 76.9° | 178.6° |
| N2 | C15 | H4 | H5 | 119.6° | 120.0° |
| N2 | C15 | C16 | H6 | 53.2° | 176.8° |
| N2 | C15 | C16 | H7 | 172.8° | 63.1° |
| C12 | C7 | C8 | C3 | 178.5° | 180.0° |
| C12 | C7 | C3 | C2 | 7.4° | 0.1° |
| C12 | C7 | C3 | C4 | 171.9° | 179.5° |
| C12 | C7 | C8 | H10 | 178.9° | 180.0° |
| C8 | C7 | C3 | C2 | 174.1° | 180.0° |
| C8 | C7 | C3 | C4 | 6.6° | 0.5° |
| C8 | C7 | C12 | H9 | 178.3° | 180.0° |
| C7 | C8 | C9 | H11 | 178.1° | 180.0° |
| C7 | C3 | C2 | C4 | 179.4° | 179.5° |
| C7 | C3 | C2 | C1 | 178.6° | 180.0° |
| C7 | C3 | C4 | C5 | 176.7° | 179.8° |
| C3 | C7 | C12 | H9 | 0.2° | 0.1° |
| C3 | C7 | C8 | H10 | 2.6° | 0.0° |
| C7 | C3 | C4 | H13 | 3.3° | 0.2° |
| C7 | C3 | C2 | H14 | 1.4° | 0.1° |
| C3 | C2 | C1 | H14 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.7° | 0.7° |
| C3 | C2 | C1 | C | 1.4° | 0.1° |
| C3 | C2 | C1 | H1 | 178.6° | 179.7° |
| C2 | C3 | C4 | H13 | 177.3° | 179.7° |
| C4 | C3 | C2 | C1 | 0.8° | 0.4° |
| C3 | C4 | C5 | H13 | 180.0° | 179.6° |
| C3 | C4 | C5 | C | 2.6° | 0.4° |
| C3 | C4 | C5 | C6 | 175.5° | 179.5° |
| C4 | C3 | C2 | H14 | 179.2° | 179.5° |
| C2 | C1 | C | H1 | 180.0° | 179.6° |
| C2 | C1 | C | C5 | 1.5° | 0.4° |
| C2 | C1 | C | N | 178.3° | 179.7° |
| C4 | C5 | C | C1 | 0.4° | 0.1° |
| C4 | C5 | C | C6 | 178.1° | 179.9° |
| C4 | C5 | C | N | 179.7° | 179.9° |
| C4 | C5 | C6 | N1 | 10.3° | 27.6° |
| C1 | C | C5 | N | 179.8° | 179.9° |
| C1 | C | C5 | C6 | 177.6° | 180.0° |
| C | C1 | C2 | H14 | 178.6° | 180.0° |
| C1 | C | N | H15 | 180.0° | 0.1° |
| C1 | C | N | H16 | 60.0° | 180.0° |
| C | C5 | C6 | N1 | 167.8° | 152.4° |
| C5 | C | C1 | H1 | 178.5° | 180.0° |
| C | C5 | C4 | H13 | 177.4° | 180.0° |
| C5 | C | N | H15 | 0.2° | 180.0° |
| C5 | C | N | H16 | 120.2° | 0.0° |
| C6 | C5 | C | N | 2.2° | 0.0° |
| C6 | C5 | C4 | H13 | 4.5° | 0.1° |
| N | C | C1 | H1 | 1.7° | 0.1° |
| C | N | H15 | H16 | 120.0° | 180.0° |
| H1 | C1 | C2 | H14 | 1.4° | 0.3° |
| H2 | C14 | C13 | H8 | 54.8° | 176.9° |
| H2 | C14 | N2 | H17 | 43.6° | 62.5° |
| H3 | C14 | C13 | H8 | 64.7° | 56.9° |
| H3 | C14 | N2 | H17 | 163.2° | 57.6° |
| H4 | C15 | C16 | H6 | 66.9° | 63.2° |
| H4 | C15 | C16 | H7 | 52.7° | 56.9° |
| H4 | C15 | N2 | H17 | 101.7° | 57.6° |
| H5 | C15 | C16 | H6 | 173.3° | 56.9° |
| H5 | C15 | C16 | H7 | 67.1° | 177.0° |
| H5 | C15 | N2 | H17 | 18.1° | 62.4° |
| H10 | C8 | C9 | H11 | 1.9° | 0.6° |
| H11 | C9 | C10 | H12 | 0.2° | 0.3° |
