LVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | trip | 1.14Å | 1.10Å | |
| C7 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.51Å | 1.43Å | |
| C4 | C5 | doub | 1.34Å | 1.36Å | Aromatic |
| C4 | N | sing | 1.37Å | 1.36Å | Aromatic |
| C5 | C8 | sing | 1.47Å | 1.43Å | Aromatic |
| N | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C9 | C | doub | 1.37Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C | CL | sing | 1.74Å | 1.74Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C7 | C6 | 174.7° | 180.0° |
| C7 | C6 | C5 | 112.4° | 109.5° |
| C7 | C6 | H2 | 108.8° | 109.4° |
| C7 | C6 | H3 | 108.8° | 109.5° |
| C6 | C5 | C4 | 127.2° | 126.5° |
| C6 | C5 | C8 | 126.3° | 126.5° |
| C5 | C6 | H2 | 108.8° | 109.5° |
| C5 | C6 | H3 | 108.7° | 109.5° |
| C5 | C4 | N | 110.4° | 109.9° |
| C4 | C5 | C8 | 106.2° | 107.0° |
| C5 | C4 | H1 | 124.8° | 125.0° |
| C4 | N | C3 | 108.9° | 109.9° |
| N | C4 | H1 | 124.8° | 125.0° |
| C4 | N | H5 | 125.5° | 125.0° |
| C5 | C8 | C9 | 134.1° | 134.1° |
| C5 | C8 | C3 | 107.1° | 106.0° |
| N | C3 | C8 | 107.4° | 107.1° |
| N | C3 | C2 | 131.1° | 133.5° |
| C3 | N | H5 | 125.6° | 125.1° |
| C9 | C8 | C3 | 118.8° | 119.9° |
| C8 | C9 | C | 119.1° | 119.8° |
| C8 | C9 | H4 | 120.4° | 120.1° |
| C8 | C3 | C2 | 121.5° | 119.4° |
| C9 | C | C1 | 122.2° | 120.5° |
| C9 | C | CL | 118.9° | 119.8° |
| C | C9 | H4 | 120.5° | 120.1° |
| C3 | C2 | C1 | 118.8° | 119.8° |
| C3 | C2 | H6 | 120.6° | 120.1° |
| C1 | C | CL | 118.8° | 119.8° |
| C | C1 | C2 | 119.5° | 120.7° |
| C | C1 | H7 | 120.2° | 119.7° |
| C1 | C2 | H6 | 120.6° | 120.2° |
| C2 | C1 | H7 | 120.3° | 119.6° |
| H2 | C6 | H3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C7 | C6 | C5 | 92.3° | 93.4° |
| N1 | C7 | C6 | H2 | 28.2° | 146.6° |
| N1 | C7 | C6 | H3 | 147.3° | 26.7° |
| C7 | C6 | C5 | H2 | 120.5° | 120.0° |
| C7 | C6 | C5 | H3 | 120.5° | 120.0° |
| C7 | C6 | C5 | C4 | 106.5° | 95.0° |
| C7 | C6 | C5 | C8 | 66.5° | 85.1° |
| C7 | C6 | H2 | H3 | 118.7° | 119.9° |
| C6 | C5 | C4 | C8 | 174.1° | 179.9° |
| C6 | C5 | C4 | N | 172.6° | 179.9° |
| C6 | C5 | C8 | C9 | 6.0° | 0.1° |
| C6 | C5 | C8 | C3 | 172.8° | 180.0° |
| C6 | C5 | C4 | H1 | 7.4° | 0.2° |
| C5 | C6 | H2 | H3 | 118.7° | 120.1° |
| C5 | C4 | N | H1 | 180.0° | 179.8° |
| C5 | C4 | N | C3 | 1.2° | 0.0° |
| C4 | C5 | C8 | C9 | 179.8° | 180.0° |
| C4 | C5 | C8 | C3 | 1.4° | 0.0° |
| C4 | C5 | C6 | H2 | 133.1° | 24.9° |
| C4 | C5 | C6 | H3 | 14.0° | 145.0° |
| C5 | C4 | N | H5 | 178.8° | 180.0° |
| N | C4 | C5 | C8 | 1.6° | 0.0° |
| C4 | N | C3 | H5 | 180.0° | 179.9° |
| C4 | N | C3 | C8 | 0.3° | 0.0° |
| C4 | N | C3 | C2 | 179.6° | 180.0° |
| C5 | C8 | C3 | N | 0.7° | 0.0° |
| C5 | C8 | C9 | C3 | 178.7° | 180.0° |
| C5 | C8 | C9 | C | 178.5° | 179.9° |
| C5 | C8 | C3 | C2 | 178.7° | 180.0° |
| C8 | C5 | C4 | H1 | 178.5° | 179.7° |
| C8 | C5 | C6 | H2 | 53.9° | 155.0° |
| C8 | C5 | C6 | H3 | 173.0° | 34.9° |
| C5 | C8 | C9 | H4 | 1.5° | 0.0° |
| N | C3 | C8 | C9 | 179.7° | 180.0° |
| N | C3 | C8 | C2 | 179.4° | 180.0° |
| N | C3 | C2 | C1 | 178.9° | 180.0° |
| C3 | N | C4 | H1 | 178.9° | 179.8° |
| N | C3 | C2 | H6 | 1.1° | 0.0° |
| C8 | C9 | C | H4 | 180.0° | 179.9° |
| C9 | C8 | C3 | C2 | 0.3° | 0.0° |
| C8 | C9 | C | C1 | 0.6° | 0.0° |
| C8 | C9 | C | CL | 177.3° | 180.0° |
| C3 | C8 | C9 | C | 0.2° | 0.0° |
| C8 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C8 | C9 | H4 | 179.8° | 179.9° |
| C8 | C3 | N | H5 | 179.7° | 180.0° |
| C8 | C3 | C2 | H6 | 179.7° | 180.0° |
| C9 | C | C1 | CL | 177.9° | 180.0° |
| C9 | C | C1 | C2 | 1.3° | 0.0° |
| C9 | C | C1 | H7 | 178.7° | 180.0° |
| C3 | C2 | C1 | C | 1.1° | 0.0° |
| C3 | C2 | C1 | H6 | 180.0° | 180.0° |
| C2 | C3 | N | H5 | 0.4° | 0.0° |
| C3 | C2 | C1 | H7 | 178.8° | 180.0° |
| C | C1 | C2 | H7 | 180.0° | 180.0° |
| C1 | C | C9 | H4 | 179.4° | 179.9° |
| C | C1 | C2 | H6 | 178.9° | 180.0° |
| CL | C | C1 | C2 | 176.6° | 180.0° |
| CL | C | C9 | H4 | 2.7° | 0.1° |
| CL | C | C1 | H7 | 3.4° | 0.0° |
| H1 | C4 | N | H5 | 1.1° | 0.3° |
| H6 | C2 | C1 | H7 | 1.2° | 0.0° |
