A1BC2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| F1 | C8 | sing | 1.35Å | 1.34Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C10 | sing | 1.47Å | 1.44Å | Aromatic |
| C3 | C4 | doub | 1.34Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C4 | N1 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| N2 | H11 | sing | 1.01Å | 1.00Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C2 | 111.6° | 109.5° |
| C1 | N2 | H12 | 109.5° | 111.0° |
| C1 | N2 | H11 | 109.5° | 111.0° |
| N2 | C1 | H3 | 108.9° | 109.4° |
| N2 | C1 | H2 | 108.9° | 109.5° |
| C1 | C2 | C3 | 114.9° | 109.4° |
| C2 | C1 | H3 | 109.0° | 109.5° |
| C2 | C1 | H2 | 108.9° | 109.5° |
| C1 | C2 | H4 | 108.1° | 109.5° |
| C1 | C2 | H5 | 108.1° | 109.4° |
| C2 | C3 | C10 | 130.2° | 126.5° |
| C2 | C3 | C4 | 123.9° | 126.5° |
| C3 | C2 | H4 | 108.1° | 109.5° |
| C3 | C2 | H5 | 108.1° | 109.5° |
| F1 | C8 | C9 | 120.2° | 119.8° |
| F1 | C8 | C7 | 118.5° | 119.9° |
| C8 | C9 | C10 | 121.3° | 119.6° |
| C9 | C8 | C7 | 121.3° | 120.3° |
| C8 | C9 | H10 | 119.3° | 120.2° |
| C9 | C10 | C3 | 136.0° | 134.0° |
| C9 | C10 | C5 | 116.0° | 120.0° |
| C10 | C9 | H10 | 119.3° | 120.2° |
| C10 | C3 | C4 | 105.9° | 107.0° |
| C3 | C10 | C5 | 108.0° | 106.1° |
| C3 | C4 | N1 | 109.7° | 110.0° |
| C3 | C4 | H6 | 125.2° | 125.0° |
| C8 | C7 | C6 | 119.0° | 120.7° |
| C8 | C7 | H9 | 120.5° | 119.7° |
| C10 | C5 | N1 | 105.9° | 107.1° |
| C10 | C5 | C6 | 122.8° | 119.5° |
| C4 | N1 | C5 | 110.5° | 109.9° |
| N1 | C4 | H6 | 125.2° | 125.0° |
| C4 | N1 | H7 | 124.8° | 125.1° |
| C7 | C6 | C5 | 119.5° | 119.9° |
| C7 | C6 | H8 | 120.2° | 120.1° |
| C6 | C7 | H9 | 120.5° | 119.6° |
| N1 | C5 | C6 | 131.3° | 133.4° |
| C5 | N1 | H7 | 124.7° | 125.0° |
| C5 | C6 | H8 | 120.2° | 120.0° |
| H12 | N2 | H11 | 109.4° | 111.1° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C2 | H3 | 120.3° | 120.0° |
| N2 | C1 | C2 | H2 | 120.3° | 120.0° |
| N2 | C1 | C2 | C3 | 79.9° | 180.0° |
| C1 | N2 | H12 | H11 | 120.0° | 124.0° |
| N2 | C1 | H3 | H2 | 119.0° | 120.0° |
| N2 | C1 | C2 | H4 | 40.9° | 60.0° |
| N2 | C1 | C2 | H5 | 159.3° | 60.1° |
| C1 | C2 | C3 | H4 | 120.8° | 120.0° |
| C1 | C2 | C3 | H5 | 120.8° | 119.9° |
| C1 | C2 | C3 | C10 | 26.7° | 85.0° |
| C1 | C2 | C3 | C4 | 153.4° | 94.7° |
| C2 | C1 | N2 | H12 | 180.0° | 180.0° |
| C2 | C1 | N2 | H11 | 60.0° | 56.0° |
| C2 | C1 | H3 | H2 | 119.0° | 120.0° |
| C1 | C2 | H4 | H5 | 117.5° | 120.0° |
| C2 | C3 | C10 | C9 | 0.1° | 0.2° |
| C2 | C3 | C10 | C4 | 179.9° | 179.8° |
| C2 | C3 | C10 | C5 | 179.9° | 179.8° |
| C2 | C3 | C4 | N1 | 179.9° | 179.8° |
| C3 | C2 | C1 | H3 | 159.8° | 60.0° |
| C3 | C2 | C1 | H2 | 40.5° | 60.0° |
| C3 | C2 | H4 | H5 | 117.5° | 120.0° |
| C2 | C3 | C4 | H6 | 0.0° | 0.3° |
| F1 | C8 | C9 | C7 | 179.6° | 180.0° |
| F1 | C8 | C9 | C10 | 179.6° | 180.0° |
| F1 | C8 | C7 | C6 | 179.6° | 180.0° |
| F1 | C8 | C9 | H10 | 0.4° | 0.0° |
| F1 | C8 | C7 | H9 | 0.4° | 0.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C3 | 179.8° | 180.0° |
| C8 | C9 | C10 | C5 | 0.1° | 0.1° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C9 | C10 | C3 | C5 | 179.8° | 179.9° |
| C9 | C10 | C3 | C4 | 179.8° | 180.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C10 | C5 | N1 | 179.9° | 180.0° |
| C9 | C10 | C5 | C6 | 0.2° | 0.1° |
| C10 | C3 | C4 | N1 | 0.1° | 0.0° |
| C3 | C10 | C5 | N1 | 0.0° | 0.0° |
| C3 | C10 | C5 | C6 | 180.0° | 180.0° |
| C3 | C10 | C9 | H10 | 0.2° | 0.0° |
| C10 | C3 | C2 | H4 | 147.5° | 155.0° |
| C10 | C3 | C2 | H5 | 94.1° | 34.9° |
| C10 | C3 | C4 | H6 | 179.9° | 179.9° |
| C4 | C3 | C10 | C5 | 0.0° | 0.0° |
| C3 | C4 | N1 | H6 | 180.0° | 179.9° |
| C3 | C4 | N1 | C5 | 0.1° | 0.0° |
| C4 | C3 | C2 | H4 | 32.6° | 25.3° |
| C4 | C3 | C2 | H5 | 85.8° | 145.3° |
| C3 | C4 | N1 | H7 | 179.9° | 179.9° |
| C8 | C7 | C6 | H9 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | H8 | 179.9° | 180.0° |
| C7 | C8 | C9 | H10 | 179.9° | 180.0° |
| C10 | C5 | N1 | C4 | 0.1° | 0.0° |
| C10 | C5 | C6 | C7 | 0.2° | 0.1° |
| C10 | C5 | N1 | C6 | 179.9° | 179.9° |
| C10 | C5 | C6 | H8 | 179.8° | 179.9° |
| C5 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | C5 | N1 | H7 | 179.9° | 179.9° |
| C4 | N1 | C5 | H7 | 180.0° | 179.9° |
| C4 | N1 | C5 | C6 | 180.0° | 179.9° |
| C7 | C6 | C5 | N1 | 179.9° | 180.0° |
| C7 | C6 | C5 | H8 | 180.0° | 180.0° |
| N1 | C5 | C6 | H8 | 0.1° | 0.0° |
| C5 | N1 | C4 | H6 | 179.9° | 179.9° |
| C5 | C6 | C7 | H9 | 179.9° | 180.0° |
| C6 | C5 | N1 | H7 | 0.0° | 0.0° |
| H12 | N2 | C1 | H3 | 59.6° | 60.0° |
| H12 | N2 | C1 | H2 | 59.7° | 60.0° |
| H11 | N2 | C1 | H3 | 60.3° | 64.0° |
| H11 | N2 | C1 | H2 | 179.6° | 176.0° |
| H8 | C6 | C7 | H9 | 0.1° | 0.0° |
| H3 | C1 | C2 | H4 | 79.4° | 60.0° |
| H3 | C1 | C2 | H5 | 39.0° | 180.0° |
| H2 | C1 | C2 | H4 | 161.3° | 180.0° |
| H2 | C1 | C2 | H5 | 80.4° | 59.9° |
| H6 | C4 | N1 | H7 | 0.1° | 0.0° |
