747
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C | sing | 1.35Å | 1.34Å | |
| O19 | N18 | sing | 1.42Å | 1.40Å | |
| O1 | C1 | sing | 1.36Å | 1.33Å | |
| C | C1 | doub | 1.39Å | 1.47Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | N18 | doub | 1.30Å | 1.27Å | |
| C17 | C12 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.39Å | 1.47Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| N13 | C12 | doub | 1.31Å | 1.36Å | |
| N13 | C7 | sing | 1.36Å | 1.35Å | |
| C12 | N15 | sing | 1.38Å | 1.33Å | |
| C2 | F1 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C6 | sing | 1.46Å | 1.45Å | |
| N15 | C16 | sing | 1.47Å | 1.50Å | |
| N15 | C10 | sing | 1.35Å | 1.31Å | |
| C7 | C6 | doub | 1.38Å | 1.45Å | |
| C7 | C10 | sing | 1.47Å | 1.44Å | |
| C10 | O14 | doub | 1.22Å | 1.27Å | |
| 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 | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| O19 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C | C1 | 113.4° | 120.0° |
| F | C | C5 | 124.6° | 119.9° |
| O19 | N18 | C17 | 122.6° | 120.0° |
| N18 | O19 | H9 | 109.5° | 114.0° |
| O1 | C1 | C | 121.4° | 119.9° |
| O1 | C1 | C2 | 121.4° | 119.9° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C | C5 | 121.9° | 120.1° |
| C | C1 | C2 | 117.2° | 120.3° |
| C | C5 | C4 | 117.2° | 119.9° |
| C | C5 | H3 | 121.4° | 120.0° |
| N18 | C17 | C12 | 122.7° | 120.0° |
| N18 | C17 | H8 | 118.6° | 120.0° |
| C17 | C12 | N13 | 122.0° | 124.6° |
| C17 | C12 | N15 | 118.7° | 124.5° |
| C12 | C17 | H8 | 118.7° | 120.0° |
| C1 | C2 | F1 | 121.4° | 119.9° |
| C1 | C2 | C3 | 118.7° | 120.1° |
| C5 | C4 | C3 | 124.2° | 119.7° |
| C5 | C4 | C6 | 121.1° | 120.1° |
| C4 | C5 | H3 | 121.4° | 120.1° |
| C12 | N13 | C7 | 99.6° | 109.4° |
| N13 | C12 | N15 | 119.3° | 110.9° |
| N13 | C7 | C6 | 121.3° | 127.0° |
| N13 | C7 | C10 | 109.7° | 106.1° |
| C12 | N15 | C16 | 131.3° | 125.9° |
| C12 | N15 | C10 | 102.5° | 108.1° |
| F1 | C2 | C3 | 119.8° | 120.0° |
| C2 | C3 | C4 | 120.6° | 119.9° |
| C2 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | C6 | 114.6° | 120.2° |
| C4 | C3 | H2 | 119.7° | 120.1° |
| C4 | C6 | C7 | 123.8° | 120.0° |
| C4 | C6 | H4 | 118.1° | 120.0° |
| C16 | N15 | C10 | 126.1° | 126.0° |
| N15 | C16 | H5 | 109.5° | 109.5° |
| N15 | C16 | H6 | 109.5° | 109.4° |
| N15 | C16 | H7 | 109.5° | 109.5° |
| N15 | C10 | C7 | 108.8° | 105.5° |
| N15 | C10 | O14 | 125.2° | 127.2° |
| C6 | C7 | C10 | 128.9° | 126.9° |
| C7 | C6 | H4 | 118.1° | 120.0° |
| C7 | C10 | O14 | 126.0° | 127.3° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | C1 | O1 | 1.1° | 0.1° |
| F | C | C1 | C5 | 177.5° | 179.9° |
| F | C | C1 | C2 | 179.6° | 180.0° |
| F | C | C5 | C4 | 179.6° | 179.7° |
| F | C | C5 | H3 | 0.4° | 0.1° |
| O19 | N18 | C17 | C12 | 177.7° | 180.0° |
| O19 | N18 | C17 | H8 | 2.3° | 0.1° |
| O1 | C1 | C | C2 | 178.5° | 179.9° |
| O1 | C1 | C | C5 | 178.6° | 180.0° |
| O1 | C1 | C2 | F1 | 0.4° | 0.0° |
| O1 | C1 | C2 | C3 | 179.0° | 179.7° |
| C1 | C | C5 | C4 | 3.1° | 0.4° |
| C | C1 | C2 | F1 | 178.2° | 179.9° |
| C | C1 | C2 | C3 | 0.5° | 0.2° |
| C | C1 | O1 | H1 | 180.0° | 89.9° |
| C1 | C | C5 | H3 | 176.8° | 180.0° |
| C5 | C | C1 | C2 | 2.9° | 0.1° |
| C | C5 | C4 | H3 | 180.0° | 179.6° |
| C | C5 | C4 | C3 | 1.1° | 0.3° |
| C | C5 | C4 | C6 | 179.4° | 179.7° |
| N18 | C17 | C12 | H8 | 180.0° | 179.9° |
| N18 | C17 | C12 | N13 | 175.8° | 0.0° |
| N18 | C17 | C12 | N15 | 4.2° | 179.9° |
| C17 | N18 | O19 | H9 | 180.0° | 180.0° |
| C17 | C12 | N13 | N15 | 180.0° | 179.9° |
| C17 | C12 | N13 | C7 | 179.6° | 179.8° |
| C17 | C12 | N15 | C16 | 1.1° | 0.1° |
| C17 | C12 | N15 | C10 | 179.2° | 180.0° |
| C1 | C2 | F1 | C3 | 178.6° | 179.7° |
| C1 | C2 | C3 | C4 | 1.5° | 0.2° |
| C2 | C1 | O1 | H1 | 1.5° | 90.0° |
| C1 | C2 | C3 | H2 | 178.5° | 179.7° |
| C5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C5 | C4 | C3 | C6 | 178.4° | 180.0° |
| C5 | C4 | C6 | C7 | 3.2° | 174.0° |
| C5 | C4 | C3 | H2 | 178.7° | 180.0° |
| C5 | C4 | C6 | H4 | 176.8° | 6.0° |
| N13 | C12 | N15 | C16 | 178.9° | 180.0° |
| N13 | C12 | N15 | C10 | 0.7° | 0.1° |
| C12 | N13 | C7 | C6 | 179.9° | 180.0° |
| C12 | N13 | C7 | C10 | 0.2° | 0.3° |
| N13 | C12 | C17 | H8 | 4.2° | 179.9° |
| C7 | N13 | C12 | N15 | 0.3° | 0.2° |
| N13 | C7 | C6 | C4 | 0.7° | 4.7° |
| N13 | C7 | C10 | N15 | 0.6° | 0.3° |
| N13 | C7 | C6 | C10 | 179.9° | 179.6° |
| N13 | C7 | C10 | O14 | 179.7° | 179.7° |
| N13 | C7 | C6 | H4 | 179.3° | 175.3° |
| C12 | N15 | C16 | C10 | 177.8° | 179.9° |
| C12 | N15 | C10 | C7 | 0.8° | 0.1° |
| C12 | N15 | C10 | O14 | 179.9° | 179.8° |
| C12 | N15 | C16 | H5 | 180.0° | 90.0° |
| C12 | N15 | C16 | H6 | 60.0° | 150.0° |
| C12 | N15 | C16 | H7 | 60.0° | 30.1° |
| N15 | C12 | C17 | H8 | 175.9° | 0.0° |
| F1 | C2 | C3 | C4 | 179.9° | 179.9° |
| F1 | C2 | C3 | H2 | 0.1° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C6 | 177.2° | 180.0° |
| C3 | C4 | C6 | C7 | 178.3° | 6.0° |
| C3 | C4 | C5 | H3 | 178.9° | 180.0° |
| C3 | C4 | C6 | H4 | 1.7° | 174.0° |
| C4 | C6 | C7 | H4 | 180.0° | 180.0° |
| C4 | C6 | C7 | C10 | 179.4° | 174.9° |
| C6 | C4 | C3 | H2 | 2.8° | 0.1° |
| C6 | C4 | C5 | H3 | 0.5° | 0.0° |
| C16 | N15 | C10 | C7 | 179.0° | 179.8° |
| C16 | N15 | C10 | O14 | 1.9° | 0.2° |
| N15 | C16 | H5 | H6 | 120.0° | 120.0° |
| N15 | C16 | H5 | H7 | 120.0° | 120.0° |
| N15 | C16 | H6 | H7 | 120.0° | 120.0° |
| N15 | C10 | C7 | C6 | 179.5° | 179.9° |
| N15 | C10 | C7 | O14 | 179.1° | 179.9° |
| C10 | N15 | C16 | H5 | 2.2° | 89.9° |
| C10 | N15 | C16 | H6 | 117.8° | 30.0° |
| C10 | N15 | C16 | H7 | 122.3° | 150.0° |
| C6 | C7 | C10 | O14 | 0.4° | 0.0° |
| C10 | C7 | C6 | H4 | 0.5° | 5.1° |
| H5 | C16 | H6 | H7 | 120.0° | 120.0° |
