A1AQG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C | sing | 1.35Å | 1.35Å | |
| C | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.50Å | |
| C6 | O | doub | 1.22Å | 1.22Å | |
| N | C6 | sing | 1.35Å | 1.35Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N | sing | 1.47Å | 1.47Å | |
| N1 | H13 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C | C1 | 118.0° | 120.1° |
| F | C | C5 | 118.8° | 120.1° |
| C | C1 | C2 | 118.5° | 120.2° |
| C1 | C | C5 | 123.2° | 119.8° |
| C | C1 | H | 120.7° | 119.9° |
| C1 | C2 | C3 | 120.3° | 120.3° |
| C2 | C1 | H | 120.8° | 119.9° |
| C1 | C2 | H1 | 119.9° | 119.8° |
| C2 | C3 | C4 | 120.4° | 120.2° |
| C3 | C2 | H1 | 119.8° | 119.8° |
| C2 | C3 | H2 | 119.8° | 119.9° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C3 | C4 | H3 | 119.7° | 120.1° |
| C4 | C3 | H2 | 119.8° | 119.8° |
| C4 | C5 | C | 117.0° | 119.6° |
| C4 | C5 | C6 | 118.5° | 120.2° |
| C5 | C4 | H3 | 119.7° | 120.1° |
| C | C5 | C6 | 124.2° | 120.2° |
| C5 | C6 | O | 118.5° | 120.0° |
| C5 | C6 | N | 119.4° | 120.0° |
| O | C6 | N | 122.1° | 120.0° |
| C6 | N | C7 | 119.7° | 120.9° |
| C6 | N | C10 | 127.3° | 120.9° |
| N | C7 | C8 | 108.8° | 108.6° |
| C7 | N | C10 | 113.0° | 118.2° |
| N | C7 | H4 | 109.7° | 109.6° |
| N | C7 | H5 | 109.7° | 109.8° |
| C7 | C8 | N1 | 108.3° | 109.3° |
| C8 | C7 | H4 | 109.6° | 109.6° |
| C8 | C7 | H5 | 109.7° | 109.7° |
| C7 | C8 | H7 | 109.8° | 109.4° |
| C7 | C8 | H6 | 109.8° | 109.5° |
| C8 | N1 | C9 | 109.9° | 111.3° |
| C8 | N1 | H13 | 109.3° | 111.0° |
| N1 | C8 | H7 | 109.7° | 109.5° |
| N1 | C8 | H6 | 109.8° | 109.5° |
| N1 | C9 | C10 | 110.4° | 109.3° |
| C9 | N1 | H13 | 109.4° | 111.0° |
| N1 | C9 | H9 | 109.2° | 109.5° |
| N1 | C9 | H10 | 109.2° | 109.5° |
| C9 | C10 | N | 110.9° | 108.6° |
| C9 | C10 | H12 | 109.1° | 109.7° |
| C9 | C10 | H11 | 109.1° | 109.8° |
| C10 | C9 | H9 | 109.3° | 109.5° |
| C10 | C9 | H10 | 109.2° | 109.5° |
| N | C10 | H12 | 109.1° | 109.6° |
| N | C10 | H11 | 109.1° | 109.6° |
| H4 | C7 | H5 | 109.5° | 109.6° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H12 | C10 | H11 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | C1 | C5 | 179.2° | 180.0° |
| F | C | C1 | C2 | 179.3° | 180.0° |
| F | C | C5 | C4 | 179.9° | 180.0° |
| F | C | C5 | C6 | 7.2° | 0.0° |
| F | C | C1 | H | 0.7° | 0.0° |
| C | C1 | C2 | H | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.5° | 0.2° |
| C1 | C | C5 | C4 | 1.0° | 0.0° |
| C1 | C | C5 | C6 | 172.0° | 180.0° |
| C | C1 | C2 | H1 | 179.5° | 180.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.4° | 0.4° |
| C2 | C1 | C | C5 | 0.2° | 0.1° |
| C1 | C2 | C3 | H2 | 179.6° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.5° | 0.5° |
| C2 | C3 | C4 | H3 | 179.5° | 179.8° |
| C3 | C2 | C1 | H | 179.5° | 179.8° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | C | 1.1° | 0.3° |
| C3 | C4 | C5 | C6 | 172.2° | 179.7° |
| C4 | C3 | C2 | H1 | 179.7° | 179.7° |
| C4 | C5 | C | C6 | 173.0° | 180.0° |
| C4 | C5 | C6 | O | 53.3° | 127.5° |
| C4 | C5 | C6 | N | 126.8° | 52.5° |
| C5 | C4 | C3 | H2 | 179.5° | 180.0° |
| C | C5 | C6 | O | 119.5° | 52.5° |
| C | C5 | C6 | N | 60.3° | 127.5° |
| C | C5 | C4 | H3 | 178.8° | 180.0° |
| C5 | C | C1 | H | 179.8° | 180.0° |
| C5 | C6 | O | N | 179.9° | 180.0° |
| C5 | C6 | N | C7 | 176.6° | 3.9° |
| C5 | C6 | N | C10 | 1.9° | 176.0° |
| C6 | C5 | C4 | H3 | 7.8° | 0.0° |
| O | C6 | N | C7 | 3.3° | 176.1° |
| O | C6 | N | C10 | 178.2° | 4.0° |
| C6 | N | C7 | C10 | 178.7° | 179.9° |
| C6 | N | C7 | C8 | 124.8° | 128.8° |
| C6 | N | C10 | C9 | 129.5° | 128.8° |
| C6 | N | C7 | H4 | 115.3° | 111.5° |
| C6 | N | C7 | H5 | 4.9° | 8.9° |
| C6 | N | C10 | H12 | 110.3° | 111.5° |
| C6 | N | C10 | H11 | 9.3° | 8.8° |
| N | C7 | C8 | H4 | 119.9° | 119.7° |
| N | C7 | C8 | H5 | 119.9° | 119.9° |
| N | C7 | C8 | N1 | 61.8° | 53.8° |
| C7 | N | C10 | C9 | 51.9° | 51.1° |
| N | C7 | H4 | H5 | 120.3° | 120.5° |
| N | C7 | C8 | H7 | 178.4° | 173.8° |
| N | C7 | C8 | H6 | 58.0° | 66.2° |
| C7 | N | C10 | H12 | 68.3° | 68.7° |
| C7 | N | C10 | H11 | 172.1° | 171.1° |
| C7 | C8 | N1 | H7 | 119.8° | 119.9° |
| C7 | C8 | N1 | H6 | 119.8° | 120.0° |
| C7 | C8 | N1 | C9 | 64.5° | 63.1° |
| C8 | C7 | N | C10 | 56.5° | 51.1° |
| C7 | C8 | N1 | H13 | 55.6° | 172.8° |
| C8 | C7 | H4 | H5 | 120.3° | 120.4° |
| C7 | C8 | H7 | H6 | 120.6° | 120.0° |
| C8 | N1 | C9 | H13 | 120.1° | 124.1° |
| C8 | N1 | C9 | C10 | 59.8° | 63.1° |
| N1 | C8 | C7 | H4 | 58.0° | 65.8° |
| N1 | C8 | C7 | H5 | 178.2° | 173.8° |
| N1 | C8 | H7 | H6 | 120.5° | 120.1° |
| C8 | N1 | C9 | H9 | 180.0° | 56.8° |
| C8 | N1 | C9 | H10 | 60.3° | 176.9° |
| N1 | C9 | C10 | H9 | 120.2° | 120.0° |
| N1 | C9 | C10 | H10 | 120.1° | 120.0° |
| N1 | C9 | C10 | N | 52.3° | 53.8° |
| C9 | N1 | C8 | H7 | 175.7° | 177.0° |
| C9 | N1 | C8 | H6 | 55.3° | 56.9° |
| N1 | C9 | C10 | H12 | 67.9° | 65.9° |
| N1 | C9 | C10 | H11 | 172.6° | 173.7° |
| N1 | C9 | H9 | H10 | 119.6° | 120.1° |
| C9 | C10 | N | H12 | 120.2° | 119.8° |
| C9 | C10 | N | H11 | 120.2° | 119.9° |
| C10 | C9 | N1 | H13 | 60.3° | 172.8° |
| C9 | C10 | H12 | H11 | 119.3° | 120.6° |
| C10 | C9 | H9 | H10 | 119.6° | 120.1° |
| C10 | N | C7 | H4 | 63.4° | 68.6° |
| C10 | N | C7 | H5 | 176.4° | 171.0° |
| N | C10 | H12 | H11 | 119.4° | 120.3° |
| N | C10 | C9 | H9 | 172.5° | 66.2° |
| N | C10 | C9 | H10 | 67.8° | 173.8° |
| H13 | N1 | C8 | H7 | 64.3° | 52.9° |
| H13 | N1 | C8 | H6 | 175.4° | 67.2° |
| H13 | N1 | C9 | H9 | 59.9° | 67.2° |
| H13 | N1 | C9 | H10 | 179.6° | 52.8° |
| H3 | C4 | C3 | H2 | 0.5° | 0.3° |
| H4 | C7 | C8 | H7 | 61.8° | 54.1° |
| H4 | C7 | C8 | H6 | 177.9° | 174.2° |
| H5 | C7 | C8 | H7 | 58.4° | 66.3° |
| H5 | C7 | C8 | H6 | 61.9° | 53.8° |
| H12 | C10 | C9 | H9 | 52.3° | 174.1° |
| H12 | C10 | C9 | H10 | 172.0° | 54.1° |
| H11 | C10 | C9 | H9 | 67.3° | 53.7° |
| H11 | C10 | C9 | H10 | 52.4° | 66.4° |
| H | C1 | C2 | H1 | 0.5° | 0.1° |
| H1 | C2 | C3 | H2 | 0.4° | 0.2° |
