Q1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.34Å | 1.40Å | Aromatic |
| C11 | O | sing | 1.34Å | 1.24Å | Aromatic |
| C12 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
| O | C8 | sing | 1.34Å | 1.23Å | Aromatic |
| C10 | C8 | doub | 1.34Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.51Å | 1.49Å | |
| N2 | C | sing | 1.38Å | 1.40Å | |
| C | N1 | doub | 1.31Å | 1.37Å | Aromatic |
| C | N | sing | 1.37Å | 1.35Å | Aromatic |
| N1 | C1 | sing | 1.36Å | 1.35Å | Aromatic |
| F | C3 | sing | 1.40Å | 1.38Å | |
| N | C6 | sing | 1.47Å | 1.44Å | |
| N | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| F1 | C3 | sing | 1.40Å | 1.33Å | |
| C3 | F2 | sing | 1.40Å | 1.32Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | O | 110.6° | 108.4° |
| C11 | C12 | C10 | 104.1° | 106.8° |
| C11 | C12 | H5 | 128.0° | 126.6° |
| C12 | C11 | H10 | 124.7° | 125.8° |
| C11 | O | C8 | 110.1° | 109.4° |
| O | C11 | H10 | 124.7° | 125.8° |
| C12 | C10 | C8 | 102.3° | 106.9° |
| C10 | C12 | H5 | 128.0° | 126.6° |
| C12 | C10 | H9 | 128.8° | 126.6° |
| O | C8 | C10 | 112.9° | 108.4° |
| O | C8 | C6 | 122.9° | 125.8° |
| C10 | C8 | C6 | 124.0° | 125.8° |
| C8 | C10 | H9 | 128.9° | 126.6° |
| C8 | C6 | N | 117.3° | 109.5° |
| C8 | C6 | H2 | 107.5° | 109.5° |
| C8 | C6 | H3 | 107.5° | 109.5° |
| N2 | C | N1 | 125.7° | 125.1° |
| N2 | C | N | 122.6° | 125.1° |
| C | N2 | H6 | 109.5° | 120.0° |
| C | N2 | H7 | 109.5° | 120.0° |
| N1 | C | N | 111.7° | 109.8° |
| C | N1 | C1 | 104.1° | 109.6° |
| C | N | C6 | 125.7° | 126.4° |
| C | N | C2 | 106.6° | 107.3° |
| N1 | C1 | C2 | 110.4° | 107.1° |
| N1 | C1 | C5 | 127.8° | 133.4° |
| F | C3 | C4 | 114.6° | 109.5° |
| F | C3 | F1 | 110.7° | 109.5° |
| F | C3 | F2 | 105.4° | 109.4° |
| C6 | N | C2 | 127.6° | 126.4° |
| N | C6 | H2 | 107.5° | 109.5° |
| N | C6 | H3 | 107.5° | 109.5° |
| N | C2 | C1 | 107.1° | 106.2° |
| N | C2 | C7 | 130.5° | 133.9° |
| C2 | C1 | C5 | 121.8° | 119.5° |
| C1 | C2 | C7 | 122.4° | 119.9° |
| C1 | C5 | C4 | 117.5° | 119.8° |
| C1 | C5 | H1 | 121.3° | 120.1° |
| C2 | C7 | C9 | 116.1° | 119.9° |
| C2 | C7 | H4 | 121.9° | 120.0° |
| C5 | C4 | C9 | 120.5° | 120.5° |
| C5 | C4 | C3 | 117.2° | 119.7° |
| C4 | C5 | H1 | 121.2° | 120.1° |
| C7 | C9 | C4 | 121.7° | 120.5° |
| C9 | C7 | H4 | 122.0° | 120.1° |
| C7 | C9 | H8 | 119.1° | 119.8° |
| C9 | C4 | C3 | 122.3° | 119.8° |
| C4 | C9 | H8 | 119.1° | 119.8° |
| C4 | C3 | F1 | 110.1° | 109.5° |
| C4 | C3 | F2 | 113.7° | 109.5° |
| F1 | C3 | F2 | 101.5° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.4° |
| H6 | N2 | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | O | H10 | 180.0° | 180.0° |
| C11 | C12 | C10 | H5 | 180.0° | 179.8° |
| C12 | C11 | O | C8 | 0.3° | 0.2° |
| C11 | C12 | C10 | C8 | 1.4° | 0.2° |
| C11 | C12 | C10 | H9 | 178.6° | 179.9° |
| O | C11 | C12 | C10 | 0.8° | 0.0° |
| C11 | O | C8 | C10 | 1.3° | 0.3° |
| C11 | O | C8 | C6 | 176.9° | 180.0° |
| O | C11 | C12 | H5 | 179.3° | 179.8° |
| C12 | C10 | C8 | O | 1.7° | 0.3° |
| C12 | C10 | C8 | H9 | 180.0° | 179.9° |
| C12 | C10 | C8 | C6 | 177.3° | 180.0° |
| C10 | C12 | C11 | H10 | 179.2° | 180.0° |
| O | C8 | C10 | C6 | 175.6° | 179.7° |
| O | C8 | C6 | N | 64.8° | 90.3° |
| O | C8 | C6 | H2 | 56.3° | 29.7° |
| O | C8 | C6 | H3 | 174.0° | 149.7° |
| O | C8 | C10 | H9 | 178.3° | 179.8° |
| C8 | O | C11 | H10 | 179.7° | 179.8° |
| C10 | C8 | C6 | N | 120.0° | 90.0° |
| C10 | C8 | C6 | H2 | 118.8° | 150.0° |
| C10 | C8 | C6 | H3 | 1.1° | 30.0° |
| C8 | C10 | C12 | H5 | 178.7° | 180.0° |
| C8 | C6 | N | C | 77.0° | 90.0° |
| C8 | C6 | N | H2 | 121.1° | 120.0° |
| C8 | C6 | N | H3 | 121.1° | 120.0° |
| C8 | C6 | N | C2 | 106.5° | 90.0° |
| C8 | C6 | H2 | H3 | 116.5° | 120.0° |
| C6 | C8 | C10 | H9 | 2.7° | 0.1° |
| N2 | C | N1 | N | 179.9° | 179.9° |
| N2 | C | N1 | C1 | 179.8° | 180.0° |
| N2 | C | N | C6 | 2.3° | 0.1° |
| N2 | C | N | C2 | 179.4° | 180.0° |
| C | N2 | H6 | H7 | 120.0° | 179.9° |
| N1 | C | N | C6 | 177.8° | 180.0° |
| N1 | C | N | C2 | 0.7° | 0.1° |
| C | N1 | C1 | C2 | 0.3° | 0.1° |
| C | N1 | C1 | C5 | 179.8° | 179.9° |
| N1 | C | N2 | H6 | 0.0° | 0.1° |
| N1 | C | N2 | H7 | 120.0° | 179.9° |
| N | C | N1 | C1 | 0.2° | 0.1° |
| C | N | C6 | C2 | 176.5° | 179.9° |
| C | N | C2 | C1 | 0.9° | 0.1° |
| C | N | C2 | C7 | 178.8° | 180.0° |
| C | N | C6 | H2 | 161.9° | 30.0° |
| C | N | C6 | H3 | 44.1° | 150.0° |
| N | C | N2 | H6 | 179.9° | 180.0° |
| N | C | N2 | H7 | 60.1° | 0.1° |
| N1 | C1 | C2 | N | 0.8° | 0.0° |
| N1 | C1 | C2 | C5 | 179.5° | 180.0° |
| N1 | C1 | C2 | C7 | 178.9° | 180.0° |
| N1 | C1 | C5 | C4 | 179.9° | 180.0° |
| N1 | C1 | C5 | H1 | 0.0° | 0.0° |
| F | C3 | C4 | C5 | 39.6° | 60.3° |
| F | C3 | C4 | C9 | 138.7° | 120.0° |
| F | C3 | C4 | F1 | 125.6° | 120.0° |
| F | C3 | C4 | F2 | 121.3° | 119.9° |
| F | C3 | F1 | F2 | 111.5° | 119.9° |
| C6 | N | C2 | C1 | 177.9° | 180.0° |
| C6 | N | C2 | C7 | 4.2° | 0.0° |
| N | C6 | H2 | H3 | 116.5° | 120.0° |
| N | C2 | C1 | C7 | 178.1° | 180.0° |
| N | C2 | C1 | C5 | 179.7° | 180.0° |
| N | C2 | C7 | C9 | 178.3° | 180.0° |
| C2 | N | C6 | H2 | 14.6° | 150.0° |
| C2 | N | C6 | H3 | 132.3° | 30.0° |
| N | C2 | C7 | H4 | 1.7° | 0.0° |
| C2 | C1 | C5 | C4 | 0.7° | 0.0° |
| C1 | C2 | C7 | C9 | 0.7° | 0.0° |
| C2 | C1 | C5 | H1 | 179.3° | 180.0° |
| C1 | C2 | C7 | H4 | 179.3° | 180.0° |
| C5 | C1 | C2 | C7 | 1.6° | 0.0° |
| C1 | C5 | C4 | H1 | 180.0° | 180.0° |
| C1 | C5 | C4 | C9 | 1.1° | 0.0° |
| C1 | C5 | C4 | C3 | 179.4° | 179.7° |
| C2 | C7 | C9 | H4 | 180.0° | 180.0° |
| C2 | C7 | C9 | C4 | 1.1° | 0.0° |
| C2 | C7 | C9 | H8 | 178.9° | 179.7° |
| C5 | C4 | C9 | C7 | 2.0° | 0.0° |
| C5 | C4 | C9 | C3 | 178.3° | 179.7° |
| C5 | C4 | C3 | F1 | 165.2° | 59.7° |
| C5 | C4 | C3 | F2 | 81.7° | 179.7° |
| C5 | C4 | C9 | H8 | 178.0° | 179.7° |
| C7 | C9 | C4 | H8 | 180.0° | 179.8° |
| C7 | C9 | C4 | C3 | 179.7° | 179.7° |
| C9 | C4 | C3 | F1 | 13.1° | 120.0° |
| C9 | C4 | C3 | F2 | 100.0° | 0.1° |
| C9 | C4 | C5 | H1 | 178.9° | 180.0° |
| C4 | C9 | C7 | H4 | 178.9° | 179.9° |
| C4 | C3 | F1 | F2 | 120.8° | 120.1° |
| C3 | C4 | C5 | H1 | 0.6° | 0.3° |
| C3 | C4 | C9 | H8 | 0.2° | 0.1° |
| H4 | C7 | C9 | H8 | 1.1° | 0.3° |
| H5 | C12 | C10 | H9 | 1.3° | 0.1° |
| H5 | C12 | C11 | H10 | 0.8° | 0.2° |
