9V7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C | doub | 1.21Å | 1.25Å | |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.47Å | |
| C | N | sing | 1.35Å | 1.38Å | |
| C | O1 | sing | 1.35Å | 1.37Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C5 | C4 | C3 | 120.1° | 120.2° |
| C5 | C4 | H4 | 120.0° | 119.9° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C1 | 121.3° | 119.9° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 119.4° | 120.0° |
| C4 | C3 | C2 | 120.3° | 120.0° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | H4 | 120.0° | 119.9° |
| O | C | N | 120.1° | 120.0° |
| O | C | O1 | 122.3° | 120.0° |
| C6 | C1 | C2 | 118.4° | 119.8° |
| C6 | C1 | N | 116.9° | 120.1° |
| C1 | C6 | H6 | 119.3° | 120.0° |
| C3 | C2 | C1 | 119.9° | 119.9° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.8° | 119.9° |
| C2 | C1 | N | 124.4° | 120.1° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | N | C | 124.9° | 120.0° |
| C1 | N | H1 | 117.5° | 120.0° |
| N | C | O1 | 117.5° | 120.0° |
| C | N | H1 | 117.5° | 120.0° |
| C | O1 | H7 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 3.2° | 0.5° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C5 | C4 | C3 | H3 | 178.9° | 180.0° |
| C4 | C5 | C6 | H6 | 176.8° | 180.0° |
| C6 | C5 | C4 | C3 | 2.3° | 0.3° |
| C5 | C6 | C1 | H6 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 2.8° | 0.5° |
| C5 | C6 | C1 | N | 177.3° | 179.7° |
| C6 | C5 | C4 | H4 | 177.7° | 179.8° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.8° | 0.0° |
| C4 | C3 | C2 | H2 | 179.2° | 180.0° |
| C3 | C4 | C5 | H5 | 177.7° | 180.0° |
| O | C | N | C1 | 1.9° | 5.1° |
| O | C | N | O1 | 176.8° | 180.0° |
| O | C | N | H1 | 178.1° | 174.6° |
| O | C | O1 | H7 | 0.0° | 0.0° |
| C6 | C1 | C2 | C3 | 1.6° | 0.2° |
| C6 | C1 | C2 | N | 174.0° | 179.8° |
| C6 | C1 | N | C | 49.4° | 33.5° |
| C6 | C1 | N | H1 | 130.5° | 146.8° |
| C6 | C1 | C2 | H2 | 178.4° | 179.8° |
| C1 | C6 | C5 | H5 | 176.8° | 179.8° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | N | 175.6° | 180.0° |
| C2 | C3 | C4 | H4 | 178.9° | 180.0° |
| C2 | C1 | N | C | 136.5° | 146.7° |
| C2 | C1 | N | H1 | 43.5° | 33.0° |
| C1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C2 | C1 | C6 | H6 | 177.1° | 180.0° |
| C1 | N | C | H1 | 180.0° | 179.7° |
| C1 | N | C | O1 | 174.8° | 174.9° |
| N | C1 | C2 | H2 | 4.4° | 0.0° |
| N | C1 | C6 | H6 | 2.7° | 0.2° |
| N | C | O1 | H7 | 176.7° | 180.0° |
| O1 | C | N | H1 | 5.1° | 5.4° |
| H2 | C2 | C3 | H3 | 0.8° | 0.0° |
| H3 | C3 | C4 | H4 | 1.1° | 0.0° |
| H4 | C4 | C5 | H5 | 2.3° | 0.1° |
| H5 | C5 | C6 | H6 | 3.2° | 0.3° |
