LVP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.35Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.41Å | Aromatic |
| F | C3 | sing | 1.35Å | 1.35Å | |
| C3 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.47Å | |
| N | N1 | sing | 1.40Å | 1.40Å | |
| O | C6 | doub | 1.22Å | 1.24Å | |
| N1 | C6 | sing | 1.35Å | 1.40Å | |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| C7 | O1 | sing | 1.35Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.45Å | Aromatic |
| O1 | N2 | sing | 1.21Å | 1.36Å | Aromatic |
| C9 | N2 | doub | 1.30Å | 1.34Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.8° | 120.0° |
| C2 | C1 | C | 121.2° | 120.2° |
| C2 | C1 | H6 | 119.4° | 119.9° |
| C1 | C2 | H7 | 119.6° | 120.0° |
| C2 | C3 | F | 119.9° | 120.1° |
| C2 | C3 | C4 | 122.3° | 119.9° |
| C3 | C2 | H7 | 119.6° | 119.9° |
| C1 | C | C5 | 118.1° | 120.1° |
| C1 | C | H5 | 120.9° | 120.0° |
| C | C1 | H6 | 119.4° | 119.9° |
| F | C3 | C4 | 117.6° | 120.0° |
| C3 | C4 | C5 | 118.8° | 119.8° |
| C3 | C4 | N | 116.9° | 120.1° |
| C | C5 | C4 | 118.8° | 120.0° |
| C | C5 | H2 | 120.6° | 120.0° |
| C5 | C | H5 | 120.9° | 120.0° |
| C5 | C4 | N | 124.2° | 120.1° |
| C4 | C5 | H2 | 120.6° | 120.0° |
| C4 | N | N1 | 118.0° | 120.0° |
| C4 | N | H4 | 107.3° | 120.0° |
| N | N1 | C6 | 123.8° | 120.0° |
| N | N1 | H1 | 118.1° | 120.0° |
| N1 | N | H4 | 107.3° | 120.0° |
| O | C6 | N1 | 124.4° | 120.0° |
| O | C6 | C7 | 121.5° | 120.0° |
| N1 | C6 | C7 | 114.0° | 120.0° |
| C6 | N1 | H1 | 118.1° | 120.0° |
| C6 | C7 | C8 | 130.1° | 126.9° |
| C6 | C7 | O1 | 120.3° | 127.0° |
| C8 | C7 | O1 | 109.6° | 106.1° |
| C7 | C8 | C9 | 104.2° | 103.8° |
| C7 | C8 | H3 | 127.9° | 128.1° |
| C7 | O1 | N2 | 109.3° | 111.5° |
| C8 | C9 | N2 | 108.7° | 106.6° |
| C9 | C8 | H3 | 127.9° | 128.1° |
| C8 | C9 | H8 | 125.6° | 126.7° |
| O1 | N2 | C9 | 108.2° | 112.0° |
| N2 | C9 | H8 | 125.7° | 126.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H7 | 180.0° | 179.7° |
| C2 | C1 | C | H6 | 180.0° | 179.9° |
| C1 | C2 | C3 | F | 173.6° | 180.0° |
| C1 | C2 | C3 | C4 | 1.6° | 0.5° |
| C2 | C1 | C | C5 | 0.6° | 0.0° |
| C2 | C1 | C | H5 | 179.4° | 180.0° |
| C3 | C2 | C1 | C | 0.9° | 0.2° |
| C2 | C3 | F | C4 | 175.4° | 179.4° |
| C2 | C3 | C4 | C5 | 0.8° | 0.6° |
| C2 | C3 | C4 | N | 178.0° | 179.8° |
| C3 | C2 | C1 | H6 | 179.2° | 179.7° |
| C1 | C | C5 | H5 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 1.4° | 0.0° |
| C1 | C | C5 | H2 | 178.6° | 180.0° |
| C | C1 | C2 | H7 | 179.2° | 180.0° |
| F | C3 | C4 | C5 | 174.5° | 180.0° |
| F | C3 | C4 | N | 2.7° | 0.3° |
| F | C3 | C2 | H7 | 6.4° | 0.3° |
| C3 | C4 | C5 | C | 0.7° | 0.3° |
| C3 | C4 | C5 | N | 177.0° | 179.7° |
| C3 | C4 | N | N1 | 171.1° | 179.7° |
| C3 | C4 | C5 | H2 | 179.3° | 179.7° |
| C3 | C4 | N | H4 | 49.9° | 0.3° |
| C4 | C3 | C2 | H7 | 178.4° | 179.7° |
| C | C5 | C4 | H2 | 180.0° | 180.0° |
| C | C5 | C4 | N | 176.3° | 180.0° |
| C5 | C | C1 | H6 | 179.4° | 179.9° |
| C5 | C4 | N | N1 | 5.9° | 0.0° |
| C5 | C4 | N | H4 | 127.2° | 180.0° |
| C4 | C5 | C | H5 | 178.6° | 180.0° |
| C4 | N | N1 | H4 | 121.2° | 180.0° |
| C4 | N | N1 | C6 | 70.2° | 180.0° |
| C4 | N | N1 | H1 | 109.8° | 0.3° |
| N | C4 | C5 | H2 | 3.8° | 0.0° |
| N | N1 | C6 | O | 5.7° | 0.3° |
| N | N1 | C6 | H1 | 180.0° | 179.7° |
| N | N1 | C6 | C7 | 176.1° | 179.7° |
| O | C6 | N1 | C7 | 178.2° | 180.0° |
| O | C6 | C7 | C8 | 1.1° | 0.0° |
| O | C6 | C7 | O1 | 177.6° | 179.7° |
| O | C6 | N1 | H1 | 174.3° | 180.0° |
| N1 | C6 | C7 | C8 | 179.4° | 180.0° |
| N1 | C6 | C7 | O1 | 0.7° | 0.3° |
| C6 | N1 | N | H4 | 51.1° | 0.0° |
| C6 | C7 | C8 | O1 | 178.8° | 179.8° |
| C6 | C7 | C8 | C9 | 178.8° | 180.0° |
| C6 | C7 | O1 | N2 | 178.6° | 179.8° |
| C7 | C6 | N1 | H1 | 3.9° | 0.0° |
| C6 | C7 | C8 | H3 | 1.2° | 0.0° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C8 | C7 | O1 | N2 | 0.3° | 0.4° |
| C7 | C8 | C9 | N2 | 0.3° | 0.0° |
| C7 | C8 | C9 | H8 | 179.7° | 180.0° |
| O1 | C7 | C8 | C9 | 0.0° | 0.3° |
| C7 | O1 | N2 | C9 | 0.5° | 0.4° |
| O1 | C7 | C8 | H3 | 180.0° | 179.8° |
| C8 | C9 | N2 | O1 | 0.5° | 0.3° |
| C8 | C9 | N2 | H8 | 180.0° | 180.0° |
| O1 | N2 | C9 | H8 | 179.5° | 179.8° |
| N2 | C9 | C8 | H3 | 179.7° | 180.0° |
| H1 | N1 | N | H4 | 128.9° | 179.7° |
| H2 | C5 | C | H5 | 1.4° | 0.0° |
| H3 | C8 | C9 | H8 | 0.3° | 0.0° |
| H5 | C | C1 | H6 | 0.7° | 0.0° |
| H6 | C1 | C2 | H7 | 0.8° | 0.0° |
