TV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.51Å | 1.53Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C6 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| N | C2 | sing | 1.35Å | 1.34Å | |
| C10 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| O | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.48Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.3° | 118.5° |
| C7 | C8 | C9 | 118.3° | 119.1° |
| C8 | C7 | H5 | 119.8° | 120.8° |
| C7 | C8 | H6 | 120.8° | 120.4° |
| C7 | C6 | C1 | 121.3° | 120.4° |
| C7 | C6 | C10 | 116.5° | 119.1° |
| C6 | C7 | H5 | 119.9° | 120.8° |
| C | C1 | C6 | 112.9° | 109.5° |
| C | C1 | N | 108.1° | 109.5° |
| C1 | C | H9 | 109.5° | 109.4° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C | C1 | H12 | 107.2° | 109.5° |
| C8 | C9 | N1 | 123.0° | 120.8° |
| C9 | C8 | H6 | 120.8° | 120.4° |
| C8 | C9 | H14 | 118.5° | 119.6° |
| C6 | C1 | N | 113.3° | 109.4° |
| C1 | C6 | C10 | 122.1° | 120.5° |
| C6 | C1 | H12 | 107.2° | 109.5° |
| C1 | N | C2 | 123.1° | 120.0° |
| C1 | N | H8 | 118.4° | 120.0° |
| N | C1 | H12 | 107.9° | 109.5° |
| C6 | C10 | N1 | 124.4° | 120.8° |
| C6 | C10 | H7 | 117.8° | 119.5° |
| C9 | N1 | C10 | 117.5° | 121.8° |
| N1 | C9 | H14 | 118.5° | 119.6° |
| N | C2 | O | 123.2° | 120.0° |
| N | C2 | C3 | 115.5° | 120.0° |
| C2 | N | H8 | 118.5° | 120.0° |
| N1 | C10 | H7 | 117.8° | 119.7° |
| O | C2 | C3 | 121.2° | 120.0° |
| C2 | C3 | C4 | 117.1° | 117.4° |
| C2 | C3 | C5 | 116.6° | 117.5° |
| C2 | C3 | H13 | 117.5° | 115.6° |
| C4 | C3 | C5 | 58.9° | 60.0° |
| C3 | C4 | C5 | 60.5° | 60.0° |
| C3 | C4 | H1 | 119.9° | 117.5° |
| C3 | C4 | H2 | 119.9° | 117.5° |
| C4 | C3 | H13 | 116.8° | 117.5° |
| C3 | C5 | C4 | 60.6° | 60.0° |
| C3 | C5 | H3 | 119.9° | 117.5° |
| C3 | C5 | H4 | 119.9° | 117.6° |
| C5 | C3 | H13 | 116.8° | 117.5° |
| C5 | C4 | H1 | 119.9° | 117.5° |
| C5 | C4 | H2 | 119.9° | 117.5° |
| C4 | C5 | H3 | 119.9° | 117.5° |
| C4 | C5 | H4 | 119.9° | 117.5° |
| H1 | C4 | H2 | 109.5° | 115.5° |
| H3 | C5 | H4 | 109.5° | 115.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H5 | 180.0° | 179.9° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C8 | C7 | C6 | C1 | 174.7° | 180.0° |
| C8 | C7 | C6 | C10 | 2.1° | 0.0° |
| C7 | C8 | C9 | N1 | 0.8° | 0.1° |
| C7 | C8 | C9 | H14 | 179.2° | 180.0° |
| C7 | C6 | C1 | C | 72.4° | 100.0° |
| C6 | C7 | C8 | C9 | 1.2° | 0.1° |
| C7 | C6 | C1 | C10 | 176.6° | 180.0° |
| C7 | C6 | C1 | N | 164.3° | 140.0° |
| C7 | C6 | C10 | N1 | 1.3° | 0.0° |
| C6 | C7 | C8 | H6 | 178.8° | 180.0° |
| C7 | C6 | C10 | H7 | 178.7° | 180.0° |
| C7 | C6 | C1 | H12 | 45.4° | 20.0° |
| C | C1 | C6 | N | 123.3° | 119.9° |
| C | C1 | C6 | H12 | 117.8° | 120.1° |
| C | C1 | N | H12 | 115.6° | 120.0° |
| C | C1 | C6 | C10 | 104.3° | 80.0° |
| C | C1 | N | C2 | 157.4° | 85.0° |
| C | C1 | N | H8 | 22.7° | 95.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C8 | C9 | N1 | H14 | 180.0° | 179.9° |
| C8 | C9 | N1 | C10 | 1.7° | 0.0° |
| C9 | C8 | C7 | H5 | 178.8° | 180.0° |
| C6 | C1 | N | H12 | 118.5° | 120.0° |
| C6 | C1 | N | C2 | 76.8° | 155.0° |
| C1 | C6 | C10 | N1 | 175.5° | 180.0° |
| C1 | C6 | C7 | H5 | 5.3° | 0.0° |
| C1 | C6 | C10 | H7 | 4.5° | 0.0° |
| C6 | C1 | N | H8 | 103.2° | 25.0° |
| C6 | C1 | C | H9 | 180.0° | 60.0° |
| C6 | C1 | C | H10 | 60.0° | 180.0° |
| C6 | C1 | C | H11 | 60.0° | 60.0° |
| N | C1 | C6 | C10 | 19.0° | 40.0° |
| C1 | N | C2 | H8 | 180.0° | 180.0° |
| C1 | N | C2 | O | 12.5° | 0.0° |
| C1 | N | C2 | C3 | 169.6° | 180.0° |
| N | C1 | C | H9 | 53.9° | 180.0° |
| N | C1 | C | H10 | 66.2° | 60.0° |
| N | C1 | C | H11 | 173.9° | 60.0° |
| C6 | C10 | N1 | C9 | 0.6° | 0.0° |
| C6 | C10 | N1 | H7 | 180.0° | 180.0° |
| C10 | C6 | C7 | H5 | 177.9° | 180.0° |
| C10 | C6 | C1 | H12 | 137.9° | 160.0° |
| N1 | C9 | C8 | H6 | 179.1° | 180.0° |
| C9 | N1 | C10 | H7 | 179.4° | 180.0° |
| N | C2 | O | C3 | 177.8° | 180.0° |
| N | C2 | C3 | C4 | 154.7° | 180.0° |
| N | C2 | C3 | C5 | 138.4° | 111.4° |
| C2 | N | C1 | H12 | 41.7° | 35.0° |
| N | C2 | C3 | H13 | 7.7° | 34.3° |
| C10 | N1 | C9 | H14 | 178.3° | 180.0° |
| O | C2 | C3 | C4 | 27.3° | 0.0° |
| O | C2 | C3 | C5 | 39.6° | 68.6° |
| O | C2 | N | H8 | 167.5° | 180.0° |
| O | C2 | C3 | H13 | 174.3° | 145.7° |
| C2 | C3 | C4 | C5 | 106.2° | 107.5° |
| C2 | C3 | C4 | H13 | 147.2° | 145.0° |
| C2 | C3 | C5 | H13 | 146.3° | 145.1° |
| C2 | C3 | C4 | H1 | 144.2° | 0.1° |
| C2 | C3 | C4 | H2 | 3.4° | 145.0° |
| C2 | C3 | C5 | H3 | 2.5° | 145.1° |
| C2 | C3 | C5 | H4 | 143.3° | 0.0° |
| C3 | C2 | N | H8 | 10.4° | 0.0° |
| C4 | C3 | C5 | H13 | 106.6° | 107.5° |
| C3 | C4 | C5 | H1 | 109.6° | 107.5° |
| C3 | C4 | C5 | H2 | 109.6° | 107.4° |
| C3 | C4 | H1 | H2 | 144.5° | 145.6° |
| C4 | C3 | C5 | H3 | 109.6° | 107.5° |
| C4 | C3 | C5 | H4 | 109.7° | 107.4° |
| C3 | C5 | H3 | H4 | 144.4° | 145.8° |
| C5 | C4 | H1 | H2 | 144.4° | 145.8° |
| C4 | C5 | H3 | H4 | 144.4° | 145.6° |
| H1 | C4 | C5 | H3 | 140.8° | 145.0° |
| H1 | C4 | C5 | H4 | 0.0° | 0.1° |
| H1 | C4 | C3 | H13 | 3.0° | 144.9° |
| H2 | C4 | C5 | H3 | 0.0° | 0.1° |
| H2 | C4 | C5 | H4 | 140.8° | 145.0° |
| H2 | C4 | C3 | H13 | 143.8° | 0.0° |
| H3 | C5 | C3 | H13 | 143.8° | 0.0° |
| H4 | C5 | C3 | H13 | 3.1° | 145.0° |
| H5 | C7 | C8 | H6 | 1.1° | 0.1° |
| H6 | C8 | C9 | H14 | 0.8° | 0.1° |
| H8 | N | C1 | H12 | 138.3° | 145.0° |
| H9 | C | H10 | H11 | 120.0° | 120.1° |
| H9 | C | C1 | H12 | 62.2° | 60.0° |
| H10 | C | C1 | H12 | 177.8° | 60.0° |
| H11 | C | C1 | H12 | 57.8° | 180.0° |
