UWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.35Å | 1.37Å | Aromatic |
| C9 | N1 | sing | 1.35Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | N2 | doub | 1.31Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.47Å | |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.41Å | |
| C6 | N | sing | 1.47Å | 1.47Å | |
| C | F | sing | 1.35Å | 1.35Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | N1 | 107.9° | 107.7° |
| C9 | C8 | C7 | 104.5° | 107.9° |
| C9 | C8 | H5 | 127.8° | 126.1° |
| C8 | C9 | H10 | 126.1° | 126.1° |
| C9 | N1 | N2 | 111.7° | 107.9° |
| C9 | N1 | H1 | 124.2° | 126.1° |
| N1 | C9 | H10 | 126.1° | 126.2° |
| C8 | C7 | N2 | 112.3° | 108.2° |
| C8 | C7 | C6 | 123.6° | 125.9° |
| C7 | C8 | H5 | 127.7° | 126.0° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C3 | C2 | C1 | 120.8° | 120.2° |
| C3 | C2 | H8 | 119.6° | 119.9° |
| C2 | C3 | H9 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.4° | 119.9° |
| C3 | C4 | H2 | 119.8° | 120.1° |
| C4 | C3 | H9 | 120.2° | 119.9° |
| N1 | N2 | C7 | 103.6° | 108.2° |
| N2 | N1 | H1 | 124.1° | 126.0° |
| C2 | C1 | C | 118.8° | 120.0° |
| C2 | C1 | H7 | 120.6° | 120.0° |
| C1 | C2 | H8 | 119.6° | 119.9° |
| C4 | C5 | C | 118.4° | 119.8° |
| C4 | C5 | N | 124.6° | 120.1° |
| C5 | C4 | H2 | 119.8° | 120.0° |
| N2 | C7 | C6 | 124.1° | 125.9° |
| C7 | C6 | N | 110.9° | 109.5° |
| C7 | C6 | H3 | 109.1° | 109.5° |
| C7 | C6 | H4 | 109.1° | 109.5° |
| C1 | C | C5 | 121.9° | 119.9° |
| C1 | C | F | 118.9° | 120.1° |
| C | C1 | H7 | 120.6° | 120.0° |
| C | C5 | N | 117.0° | 120.1° |
| C5 | C | F | 119.1° | 120.0° |
| C5 | N | C6 | 120.2° | 120.0° |
| C5 | N | H6 | 106.8° | 120.0° |
| N | C6 | H3 | 109.1° | 109.4° |
| N | C6 | H4 | 109.1° | 109.5° |
| C6 | N | H6 | 106.7° | 120.0° |
| H3 | C6 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | N1 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.6° |
| C8 | C9 | N1 | N2 | 0.9° | 0.0° |
| C9 | C8 | C7 | N2 | 0.0° | 0.4° |
| C9 | C8 | C7 | C6 | 178.0° | 180.0° |
| C8 | C9 | N1 | H1 | 179.1° | 179.7° |
| N1 | C9 | C8 | C7 | 0.6° | 0.2° |
| C9 | N1 | N2 | H1 | 180.0° | 179.7° |
| C9 | N1 | N2 | C7 | 0.8° | 0.2° |
| N1 | C9 | C8 | H5 | 179.4° | 179.8° |
| C8 | C7 | N2 | N1 | 0.5° | 0.4° |
| C8 | C7 | N2 | C6 | 178.0° | 179.7° |
| C8 | C7 | C6 | N | 120.7° | 94.6° |
| C8 | C7 | C6 | H3 | 0.5° | 145.4° |
| C8 | C7 | C6 | H4 | 119.1° | 25.4° |
| C7 | C8 | C9 | H10 | 179.5° | 179.8° |
| C2 | C3 | C4 | H9 | 180.0° | 179.4° |
| C3 | C2 | C1 | H8 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C3 | C2 | C1 | C | 1.8° | 0.3° |
| C2 | C3 | C4 | H2 | 180.0° | 179.7° |
| C3 | C2 | C1 | H7 | 178.2° | 179.7° |
| C4 | C3 | C2 | C1 | 1.4° | 0.6° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C3 | C4 | C5 | C | 1.0° | 0.2° |
| C3 | C4 | C5 | N | 179.4° | 179.7° |
| C4 | C3 | C2 | H8 | 178.6° | 179.7° |
| N1 | N2 | C7 | C6 | 178.5° | 180.0° |
| N2 | N1 | C9 | H10 | 179.1° | 180.0° |
| C2 | C1 | C | H7 | 180.0° | 179.9° |
| C2 | C1 | C | C5 | 0.8° | 0.0° |
| C2 | C1 | C | F | 176.4° | 180.0° |
| C1 | C2 | C3 | H9 | 178.6° | 180.0° |
| C4 | C5 | C | C1 | 0.6° | 0.0° |
| C4 | C5 | C | N | 179.7° | 179.9° |
| C4 | C5 | N | C6 | 3.0° | 0.0° |
| C4 | C5 | C | F | 177.8° | 180.0° |
| C4 | C5 | N | H6 | 124.5° | 180.0° |
| C5 | C4 | C3 | H9 | 180.0° | 179.9° |
| N2 | C7 | C6 | N | 57.1° | 85.0° |
| C7 | N2 | N1 | H1 | 179.2° | 179.9° |
| N2 | C7 | C6 | H3 | 177.3° | 35.0° |
| N2 | C7 | C6 | H4 | 63.1° | 155.0° |
| N2 | C7 | C8 | H5 | 180.0° | 180.0° |
| C7 | C6 | N | C5 | 79.3° | 180.0° |
| C7 | C6 | N | H3 | 120.2° | 120.0° |
| C7 | C6 | N | H4 | 120.2° | 120.0° |
| C7 | C6 | H3 | H4 | 119.3° | 120.0° |
| C6 | C7 | C8 | H5 | 2.0° | 0.4° |
| C7 | C6 | N | H6 | 42.2° | 0.0° |
| C1 | C | C5 | F | 177.2° | 180.0° |
| C1 | C | C5 | N | 179.8° | 180.0° |
| C | C1 | C2 | H8 | 178.2° | 180.0° |
| C | C5 | N | C6 | 177.3° | 180.0° |
| C | C5 | C4 | H2 | 179.0° | 180.0° |
| C | C5 | N | H6 | 55.9° | 0.0° |
| C5 | C | C1 | H7 | 179.2° | 180.0° |
| C5 | N | C6 | H6 | 121.5° | 180.0° |
| N | C5 | C | F | 2.6° | 0.0° |
| N | C5 | C4 | H2 | 0.6° | 0.1° |
| C5 | N | C6 | H3 | 40.9° | 60.0° |
| C5 | N | C6 | H4 | 160.5° | 59.9° |
| N | C6 | H3 | H4 | 119.4° | 120.0° |
| F | C | C1 | H7 | 3.6° | 0.0° |
| H1 | N1 | C9 | H10 | 0.9° | 0.3° |
| H2 | C4 | C3 | H9 | 0.0° | 0.3° |
| H3 | C6 | N | H6 | 162.4° | 120.0° |
| H4 | C6 | N | H6 | 78.0° | 120.1° |
| H5 | C8 | C9 | H10 | 0.5° | 0.2° |
| H7 | C1 | C2 | H8 | 1.8° | 0.0° |
| H8 | C2 | C3 | H9 | 1.4° | 0.3° |
