38E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C9 | doub | 1.22Å | 1.31Å | |
| F | C | sing | 1.35Å | 1.36Å | |
| C5 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.46Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.48Å | |
| C9 | C7 | sing | 1.47Å | 1.46Å | |
| C9 | N1 | sing | 1.35Å | 1.32Å | |
| C | C1 | sing | 1.39Å | 1.48Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | N | sing | 1.37Å | 1.36Å | |
| C10 | N1 | sing | 1.46Å | 1.48Å | |
| N1 | C8 | sing | 1.37Å | 1.34Å | |
| C1 | O1 | sing | 1.36Å | 1.32Å | |
| C1 | C2 | doub | 1.39Å | 1.46Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C8 | doub | 1.30Å | 1.38Å | |
| C8 | C11 | sing | 1.51Å | 1.51Å | |
| C2 | F1 | sing | 1.35Å | 1.37Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C9 | C7 | 127.0° | 127.4° |
| O | C9 | N1 | 125.1° | 127.4° |
| F | C | C5 | 120.4° | 119.9° |
| F | C | C1 | 122.9° | 119.9° |
| C | C5 | C4 | 121.9° | 119.9° |
| C5 | C | C1 | 116.7° | 120.1° |
| C | C5 | H3 | 119.0° | 120.1° |
| C5 | C4 | C6 | 115.4° | 120.1° |
| C5 | C4 | C3 | 122.0° | 119.8° |
| C4 | C5 | H3 | 119.0° | 120.1° |
| C4 | C6 | C7 | 124.9° | 120.0° |
| C6 | C4 | C3 | 122.7° | 120.1° |
| C4 | C6 | H4 | 117.6° | 120.0° |
| C6 | C7 | C9 | 127.3° | 127.2° |
| C6 | C7 | N | 126.3° | 127.1° |
| C7 | C6 | H4 | 117.6° | 119.9° |
| C7 | C9 | N1 | 107.8° | 105.2° |
| C9 | C7 | N | 106.4° | 105.8° |
| C9 | N1 | C10 | 124.5° | 125.8° |
| C9 | N1 | C8 | 108.2° | 108.4° |
| C | C1 | O1 | 121.7° | 119.9° |
| C | C1 | C2 | 121.3° | 120.2° |
| C4 | C3 | C2 | 120.5° | 119.9° |
| C4 | C3 | H2 | 119.7° | 120.1° |
| C7 | N | C8 | 105.8° | 109.3° |
| C10 | N1 | C8 | 127.3° | 125.8° |
| N1 | C10 | H5 | 109.5° | 109.5° |
| N1 | C10 | H6 | 109.5° | 109.5° |
| N1 | C10 | H7 | 109.5° | 109.5° |
| N1 | C8 | N | 111.8° | 111.3° |
| N1 | C8 | C11 | 121.3° | 124.3° |
| O1 | C1 | C2 | 117.0° | 119.9° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 117.6° | 120.1° |
| C1 | C2 | F1 | 118.6° | 120.0° |
| C3 | C2 | F1 | 123.9° | 119.9° |
| C2 | C3 | H2 | 119.7° | 120.0° |
| N | C8 | C11 | 126.9° | 124.4° |
| C8 | C11 | H8 | 109.5° | 109.5° |
| C8 | C11 | H9 | 109.5° | 109.4° |
| C8 | C11 | H10 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H5 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C9 | C7 | C6 | 0.6° | 0.0° |
| O | C9 | C7 | N1 | 176.3° | 180.0° |
| O | C9 | C7 | N | 177.4° | 179.7° |
| O | C9 | N1 | C10 | 3.3° | 0.0° |
| O | C9 | N1 | C8 | 177.7° | 179.9° |
| F | C | C5 | C1 | 179.9° | 179.7° |
| F | C | C5 | C4 | 179.8° | 180.0° |
| F | C | C1 | O1 | 1.3° | 0.3° |
| F | C | C1 | C2 | 179.4° | 179.7° |
| F | C | C5 | H3 | 0.2° | 0.3° |
| C | C5 | C4 | H3 | 180.0° | 179.8° |
| C | C5 | C4 | C6 | 179.6° | 179.7° |
| C | C5 | C4 | C3 | 0.1° | 0.2° |
| C5 | C | C1 | O1 | 178.8° | 180.0° |
| C5 | C | C1 | C2 | 0.7° | 0.0° |
| C5 | C4 | C6 | C3 | 179.7° | 179.9° |
| C5 | C4 | C6 | C7 | 176.5° | 173.9° |
| C4 | C5 | C | C1 | 0.3° | 0.2° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C4 | C3 | H2 | 179.7° | 180.0° |
| C5 | C4 | C6 | H4 | 3.5° | 6.1° |
| C4 | C6 | C7 | H4 | 180.0° | 179.9° |
| C4 | C6 | C7 | C9 | 178.8° | 174.6° |
| C4 | C6 | C7 | N | 3.5° | 5.1° |
| C6 | C4 | C3 | C2 | 179.4° | 180.0° |
| C6 | C4 | C3 | H2 | 0.6° | 0.1° |
| C6 | C4 | C5 | H3 | 0.4° | 0.1° |
| C6 | C7 | C9 | N | 178.0° | 179.7° |
| C6 | C7 | C9 | N1 | 176.9° | 180.0° |
| C7 | C6 | C4 | C3 | 3.2° | 6.0° |
| C6 | C7 | N | C8 | 177.6° | 179.9° |
| C7 | C9 | N1 | C10 | 179.7° | 180.0° |
| C7 | C9 | N1 | C8 | 1.3° | 0.0° |
| C9 | C7 | N | C8 | 0.4° | 0.3° |
| C9 | C7 | C6 | H4 | 1.2° | 5.5° |
| N1 | C9 | C7 | N | 1.1° | 0.2° |
| C9 | N1 | C10 | C8 | 178.7° | 179.9° |
| C9 | N1 | C8 | N | 1.1° | 0.2° |
| C9 | N1 | C8 | C11 | 177.6° | 180.0° |
| C9 | N1 | C10 | H5 | 180.0° | 0.0° |
| C9 | N1 | C10 | H6 | 60.0° | 119.9° |
| C9 | N1 | C10 | H7 | 60.0° | 120.0° |
| C | C1 | O1 | C2 | 178.2° | 179.9° |
| C | C1 | C2 | C3 | 0.9° | 0.2° |
| C | C1 | C2 | F1 | 179.1° | 179.9° |
| C | C1 | O1 | H1 | 180.0° | 90.0° |
| C1 | C | C5 | H3 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.6° | 0.3° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | F1 | 179.3° | 180.0° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C3 | C4 | C6 | H4 | 176.8° | 174.0° |
| C7 | N | C8 | N1 | 0.4° | 0.3° |
| C7 | N | C8 | C11 | 178.3° | 179.8° |
| N | C7 | C6 | H4 | 176.5° | 174.8° |
| C10 | N1 | C8 | N | 180.0° | 179.7° |
| C10 | N1 | C8 | C11 | 1.3° | 0.1° |
| N1 | C10 | H5 | H6 | 120.0° | 120.0° |
| N1 | C10 | H5 | H7 | 120.0° | 120.0° |
| N1 | C10 | H6 | H7 | 120.0° | 120.1° |
| N1 | C8 | N | C11 | 178.7° | 179.8° |
| C8 | N1 | C10 | H5 | 1.3° | 179.9° |
| C8 | N1 | C10 | H6 | 118.7° | 60.0° |
| C8 | N1 | C10 | H7 | 121.3° | 60.1° |
| N1 | C8 | C11 | H8 | 178.5° | 90.1° |
| N1 | C8 | C11 | H9 | 58.5° | 149.9° |
| N1 | C8 | C11 | H10 | 61.5° | 30.0° |
| O1 | C1 | C2 | C3 | 179.1° | 179.7° |
| O1 | C1 | C2 | F1 | 0.9° | 0.0° |
| C1 | C2 | C3 | F1 | 180.0° | 179.7° |
| C2 | C1 | O1 | H1 | 1.8° | 90.0° |
| C1 | C2 | C3 | H2 | 179.4° | 179.7° |
| N | C8 | C11 | H8 | 0.0° | 89.7° |
| N | C8 | C11 | H9 | 120.0° | 30.3° |
| N | C8 | C11 | H10 | 120.0° | 150.2° |
| C8 | C11 | H8 | H9 | 120.0° | 120.0° |
| C8 | C11 | H8 | H10 | 120.0° | 120.0° |
| C8 | C11 | H9 | H10 | 120.0° | 120.0° |
| F1 | C2 | C3 | H2 | 0.7° | 0.0° |
| H5 | C10 | H6 | H7 | 120.0° | 120.0° |
| H8 | C11 | H9 | H10 | 120.0° | 120.1° |
