T9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N | sing | 1.47Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| O | C8 | sing | 1.36Å | 1.36Å | |
| C3 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 113.3° | 109.4° |
| C | C1 | H10 | 108.5° | 109.5° |
| C | C1 | H11 | 108.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.4° |
| C1 | C | H13 | 109.4° | 109.4° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C2 | N | 109.0° | 109.5° |
| C1 | C2 | C3 | 111.6° | 109.4° |
| C1 | C2 | H6 | 108.1° | 109.4° |
| C2 | C1 | H10 | 108.5° | 109.5° |
| C2 | C1 | H11 | 108.5° | 109.5° |
| N | C2 | C3 | 111.3° | 109.4° |
| N | C2 | H6 | 108.5° | 109.5° |
| C2 | N | H7 | 109.5° | 111.0° |
| C2 | N | H8 | 109.5° | 111.0° |
| C2 | C3 | C8 | 121.4° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.1° |
| C3 | C2 | H6 | 108.2° | 109.5° |
| O | C8 | C3 | 118.8° | 120.0° |
| O | C8 | C7 | 120.6° | 120.1° |
| C8 | O | H5 | 109.5° | 114.0° |
| C8 | C3 | C4 | 118.1° | 119.9° |
| C3 | C8 | C7 | 120.6° | 119.9° |
| C3 | C4 | C5 | 121.2° | 120.1° |
| C3 | C4 | H1 | 119.4° | 119.9° |
| C8 | C7 | C6 | 119.9° | 119.9° |
| C8 | C7 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C5 | C4 | H1 | 119.4° | 120.0° |
| C4 | C5 | H2 | 119.9° | 119.9° |
| C7 | C6 | C5 | 120.0° | 120.1° |
| C7 | C6 | H3 | 120.0° | 120.0° |
| C6 | C7 | H4 | 120.0° | 120.1° |
| C6 | C5 | H2 | 119.9° | 120.0° |
| C5 | C6 | H3 | 120.0° | 119.9° |
| H7 | N | H8 | 109.5° | 111.0° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C | H13 | 109.4° | 109.6° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H10 | 120.6° | 120.0° |
| C | C1 | C2 | H11 | 120.5° | 119.9° |
| C | C1 | C2 | N | 164.1° | 65.0° |
| C | C1 | C2 | C3 | 72.5° | 175.0° |
| C | C1 | C2 | H6 | 46.4° | 55.0° |
| C | C1 | H10 | H11 | 118.2° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 119.9° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | N | C3 | 123.6° | 119.9° |
| C1 | C2 | N | H6 | 117.5° | 120.0° |
| C1 | C2 | C3 | H6 | 118.8° | 119.9° |
| C1 | C2 | C3 | C8 | 111.3° | 85.0° |
| C1 | C2 | C3 | C4 | 71.7° | 95.5° |
| C1 | C2 | N | H7 | 180.0° | 60.0° |
| C1 | C2 | N | H8 | 60.0° | 176.1° |
| C2 | C1 | H10 | H11 | 118.3° | 120.1° |
| C2 | C1 | C | H12 | 180.0° | 60.0° |
| C2 | C1 | C | H13 | 60.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 179.9° |
| N | C2 | C3 | H6 | 119.1° | 120.1° |
| N | C2 | C3 | C8 | 126.6° | 155.0° |
| N | C2 | C3 | C4 | 50.4° | 24.5° |
| C2 | N | H7 | H8 | 120.0° | 123.9° |
| N | C2 | C1 | H10 | 43.5° | 175.0° |
| N | C2 | C1 | H11 | 75.4° | 54.9° |
| C2 | C3 | C8 | O | 4.1° | 0.3° |
| C2 | C3 | C8 | C4 | 177.1° | 179.5° |
| C2 | C3 | C8 | C7 | 175.3° | 180.0° |
| C2 | C3 | C4 | C5 | 175.4° | 180.0° |
| C2 | C3 | C4 | H1 | 4.6° | 0.3° |
| C3 | C2 | N | H7 | 56.4° | 60.0° |
| C3 | C2 | N | H8 | 176.4° | 63.9° |
| C3 | C2 | C1 | H10 | 166.9° | 55.0° |
| C3 | C2 | C1 | H11 | 48.1° | 65.0° |
| O | C8 | C3 | C7 | 179.4° | 179.7° |
| O | C8 | C3 | C4 | 178.8° | 179.8° |
| O | C8 | C7 | C6 | 179.8° | 179.9° |
| O | C8 | C7 | H4 | 0.3° | 0.1° |
| C8 | C3 | C4 | C5 | 1.8° | 0.5° |
| C3 | C8 | C7 | C6 | 0.4° | 0.2° |
| C8 | C3 | C4 | H1 | 178.2° | 179.8° |
| C3 | C8 | C7 | H4 | 179.6° | 179.8° |
| C3 | C8 | O | H5 | 180.0° | 89.8° |
| C8 | C3 | C2 | H6 | 7.6° | 34.9° |
| C4 | C3 | C8 | C7 | 1.8° | 0.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | H2 | 179.8° | 179.7° |
| C4 | C3 | C2 | H6 | 169.5° | 144.5° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 1.2° | 0.0° |
| C8 | C7 | C6 | H3 | 178.8° | 180.0° |
| C7 | C8 | O | H5 | 0.6° | 90.0° |
| C4 | C5 | C6 | C7 | 1.3° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H3 | 178.7° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 178.7° | 180.0° |
| C6 | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C6 | C7 | H4 | 178.8° | 179.9° |
| H1 | C4 | C5 | H2 | 0.3° | 0.0° |
| H2 | C5 | C6 | H3 | 1.2° | 0.0° |
| H3 | C6 | C7 | H4 | 1.2° | 0.0° |
| H6 | C2 | N | H7 | 62.5° | 180.0° |
| H6 | C2 | N | H8 | 57.5° | 56.1° |
| H6 | C2 | C1 | H10 | 74.2° | 65.0° |
| H6 | C2 | C1 | H11 | 166.9° | 175.0° |
| H10 | C1 | C | H12 | 59.4° | 179.9° |
| H10 | C1 | C | H13 | 60.6° | 60.0° |
| H10 | C1 | C | H14 | 179.4° | 60.0° |
| H11 | C1 | C | H12 | 59.5° | 59.9° |
| H11 | C1 | C | H13 | 179.4° | 180.0° |
| H11 | C1 | C | H14 | 60.6° | 60.0° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
