Q7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| C3 | N | sing | 1.35Å | 1.41Å | |
| O | C3 | doub | 1.21Å | 1.17Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| N | C5 | sing | 1.41Å | 1.43Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | F | sing | 1.35Å | 1.30Å | |
| C10 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| O1 | C10 | sing | 1.36Å | 1.37Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 109.1° | 109.6° |
| C | C1 | O1 | 106.6° | 109.6° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.4° | 109.4° |
| C | C1 | H3 | 109.6° | 109.6° |
| C1 | C2 | N | 108.4° | 107.6° |
| C2 | C1 | O1 | 110.6° | 108.8° |
| C2 | C1 | H3 | 109.7° | 109.6° |
| C1 | C2 | H5 | 109.7° | 109.9° |
| C1 | C2 | H4 | 109.7° | 109.8° |
| C2 | N | C3 | 119.1° | 121.2° |
| C2 | N | C5 | 115.3° | 117.7° |
| N | C2 | H5 | 109.7° | 109.8° |
| N | C2 | H4 | 109.8° | 109.9° |
| N | C3 | O | 122.3° | 120.0° |
| N | C3 | C4 | 118.0° | 120.0° |
| C3 | N | C5 | 125.6° | 121.1° |
| O | C3 | C4 | 119.7° | 120.0° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.4° |
| N | C5 | C6 | 124.9° | 120.1° |
| N | C5 | C10 | 117.6° | 119.7° |
| C5 | C6 | C7 | 122.1° | 119.9° |
| C6 | C5 | C10 | 117.5° | 120.2° |
| C5 | C6 | H9 | 118.9° | 120.1° |
| C6 | C7 | C8 | 120.9° | 120.0° |
| C7 | C6 | H9 | 119.0° | 120.0° |
| C6 | C7 | H10 | 119.5° | 120.0° |
| C7 | C8 | C9 | 118.2° | 120.3° |
| C8 | C7 | H10 | 119.6° | 119.9° |
| C7 | C8 | H11 | 120.9° | 119.9° |
| C8 | C9 | F | 118.2° | 120.0° |
| C8 | C9 | C10 | 121.7° | 120.0° |
| C9 | C8 | H11 | 120.9° | 119.8° |
| F | C9 | C10 | 120.0° | 120.0° |
| C9 | C10 | C5 | 119.6° | 119.5° |
| C9 | C10 | O1 | 116.4° | 119.6° |
| C5 | C10 | O1 | 124.0° | 120.9° |
| C10 | O1 | C1 | 116.9° | 117.8° |
| O1 | C1 | H3 | 111.3° | 109.6° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H6 | 109.5° | 109.5° |
| H8 | C4 | H6 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
| H | C | H2 | 109.5° | 109.6° |
| H1 | C | H2 | 109.4° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | O1 | 116.9° | 119.8° |
| C | C1 | C2 | H3 | 120.0° | 120.3° |
| C | C1 | C2 | N | 175.5° | 177.9° |
| C | C1 | O1 | C10 | 159.4° | 169.2° |
| C | C1 | O1 | H3 | 119.4° | 120.3° |
| C1 | C | H | H1 | 120.0° | 119.9° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H2 | 119.9° | 120.0° |
| C | C1 | C2 | H5 | 64.7° | 58.5° |
| C | C1 | C2 | H4 | 55.6° | 62.6° |
| C1 | C2 | N | H5 | 119.8° | 119.5° |
| C1 | C2 | N | H4 | 119.8° | 119.5° |
| C1 | C2 | N | C3 | 132.2° | 138.0° |
| C1 | C2 | N | C5 | 49.0° | 42.0° |
| C2 | C1 | O1 | C10 | 41.0° | 49.4° |
| C2 | C1 | O1 | H3 | 122.2° | 119.9° |
| C2 | C1 | C | H | 180.0° | 60.1° |
| C2 | C1 | C | H1 | 60.0° | 180.0° |
| C2 | C1 | C | H2 | 60.0° | 60.0° |
| C1 | C2 | H5 | H4 | 120.5° | 120.9° |
| C2 | N | C3 | C5 | 178.7° | 180.0° |
| C2 | N | C3 | O | 162.5° | 174.2° |
| C2 | N | C3 | C4 | 16.5° | 5.8° |
| C2 | N | C5 | C6 | 157.8° | 166.2° |
| C2 | N | C5 | C10 | 21.7° | 14.0° |
| N | C2 | C1 | O1 | 58.6° | 58.1° |
| N | C2 | C1 | H3 | 64.6° | 61.7° |
| N | C2 | H5 | H4 | 120.5° | 121.0° |
| N | C3 | O | C4 | 179.0° | 179.9° |
| C3 | N | C5 | C6 | 20.9° | 13.8° |
| C3 | N | C5 | C10 | 159.6° | 166.0° |
| N | C3 | C4 | H7 | 179.0° | 84.9° |
| N | C3 | C4 | H8 | 59.0° | 35.1° |
| N | C3 | C4 | H6 | 61.0° | 155.1° |
| C3 | N | C2 | H5 | 12.4° | 102.5° |
| C3 | N | C2 | H4 | 108.0° | 18.5° |
| O | C3 | N | C5 | 18.9° | 5.8° |
| O | C3 | C4 | H7 | 0.0° | 95.2° |
| O | C3 | C4 | H8 | 120.0° | 144.8° |
| O | C3 | C4 | H6 | 120.0° | 24.8° |
| C4 | C3 | N | C5 | 162.1° | 174.1° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H6 | 120.0° | 120.0° |
| C3 | C4 | H8 | H6 | 120.0° | 120.0° |
| N | C5 | C6 | C10 | 179.5° | 179.8° |
| N | C5 | C6 | C7 | 179.9° | 179.6° |
| N | C5 | C10 | C9 | 179.6° | 179.5° |
| N | C5 | C10 | O1 | 1.4° | 0.7° |
| N | C5 | C6 | H9 | 0.1° | 0.3° |
| C5 | N | C2 | H5 | 168.8° | 77.5° |
| C5 | N | C2 | H4 | 70.8° | 161.5° |
| C5 | C6 | C7 | H9 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C6 | C5 | C10 | C9 | 0.8° | 0.3° |
| C6 | C5 | C10 | O1 | 178.1° | 179.5° |
| C5 | C6 | C7 | H10 | 179.9° | 180.0° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.1° |
| C7 | C6 | C5 | C10 | 0.6° | 0.2° |
| C6 | C7 | C8 | H11 | 179.5° | 179.9° |
| C7 | C8 | C9 | H11 | 180.0° | 180.0° |
| C7 | C8 | C9 | F | 179.6° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C8 | C7 | C6 | H9 | 179.9° | 179.9° |
| C8 | C9 | F | C10 | 179.3° | 180.0° |
| C8 | C9 | C10 | C5 | 0.4° | 0.2° |
| C8 | C9 | C10 | O1 | 178.7° | 179.6° |
| C9 | C8 | C7 | H10 | 179.5° | 180.0° |
| F | C9 | C10 | C5 | 178.9° | 179.8° |
| F | C9 | C10 | O1 | 2.1° | 0.4° |
| F | C9 | C8 | H11 | 0.4° | 0.0° |
| C9 | C10 | C5 | O1 | 179.0° | 179.8° |
| C9 | C10 | O1 | C1 | 168.4° | 159.8° |
| C10 | C9 | C8 | H11 | 179.7° | 180.0° |
| C5 | C10 | O1 | C1 | 12.6° | 20.4° |
| C10 | C5 | C6 | H9 | 179.4° | 179.9° |
| C10 | O1 | C1 | H3 | 81.2° | 70.5° |
| O1 | C1 | C | H | 60.6° | 179.4° |
| O1 | C1 | C | H1 | 59.5° | 60.6° |
| O1 | C1 | C | H2 | 179.4° | 59.4° |
| O1 | C1 | C2 | H5 | 178.4° | 61.4° |
| O1 | C1 | C2 | H4 | 61.2° | 177.6° |
| H7 | C4 | H8 | H6 | 120.0° | 120.1° |
| H9 | C6 | C7 | H10 | 0.1° | 0.0° |
| H10 | C7 | C8 | H11 | 0.5° | 0.1° |
| H | C | H1 | H2 | 120.0° | 120.1° |
| H | C | C1 | H3 | 60.0° | 60.3° |
| H1 | C | C1 | H3 | 180.0° | 59.7° |
| H2 | C | C1 | H3 | 60.1° | 179.7° |
| H3 | C1 | C2 | H5 | 55.3° | 178.8° |
| H3 | C1 | C2 | H4 | 175.6° | 57.8° |
