V92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| O | C2 | sing | 1.35Å | 1.26Å | |
| C5 | C6 | sing | 1.39Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.39Å | |
| C3 | C8 | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.30Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | N1 | sing | 1.38Å | 1.38Å | |
| C1 | C | sing | 1.43Å | 1.42Å | |
| C1 | C9 | sing | 1.46Å | 1.44Å | |
| C | N | trip | 1.14Å | 1.13Å | |
| N1 | C9 | sing | 1.34Å | 1.34Å | |
| C9 | O1 | doub | 1.22Å | 1.22Å | |
| N1 | H | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 120.6° | 119.8° |
| C4 | C5 | C6 | 120.1° | 120.5° |
| C5 | C4 | H2 | 119.7° | 120.1° |
| C4 | C5 | H3 | 120.0° | 119.7° |
| C4 | C3 | C2 | 121.9° | 120.6° |
| C4 | C3 | C8 | 119.9° | 119.9° |
| C3 | C4 | H2 | 119.7° | 120.1° |
| O | C2 | C3 | 113.6° | 120.9° |
| O | C2 | C1 | 125.4° | 120.8° |
| C2 | O | H1 | 109.5° | 114.0° |
| C5 | C6 | C7 | 119.9° | 120.7° |
| C6 | C5 | H3 | 119.9° | 119.7° |
| C5 | C6 | H4 | 120.1° | 119.7° |
| C2 | C3 | C8 | 118.0° | 119.5° |
| C3 | C2 | C1 | 121.0° | 118.3° |
| C3 | C8 | C7 | 118.8° | 119.2° |
| C3 | C8 | N1 | 119.6° | 120.5° |
| C2 | C1 | C | 119.3° | 120.5° |
| C2 | C1 | C9 | 123.2° | 119.1° |
| C6 | C7 | C8 | 120.4° | 119.9° |
| C7 | C6 | H4 | 120.1° | 119.6° |
| C6 | C7 | H5 | 119.8° | 120.1° |
| C7 | C8 | N1 | 121.1° | 120.3° |
| C8 | C7 | H5 | 119.8° | 120.0° |
| C8 | N1 | C9 | 123.6° | 121.7° |
| C8 | N1 | H | 118.2° | 119.1° |
| C | C1 | C9 | 117.4° | 120.4° |
| C1 | C | N | 175.6° | 180.0° |
| C1 | C9 | N1 | 114.5° | 120.9° |
| C1 | C9 | O1 | 123.7° | 119.6° |
| N1 | C9 | O1 | 121.4° | 119.5° |
| C9 | N1 | H | 118.2° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H2 | 180.0° | 179.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.0° |
| C5 | C4 | C3 | C2 | 167.5° | 180.0° |
| C5 | C4 | C3 | C8 | 6.7° | 0.8° |
| C4 | C5 | C6 | C7 | 2.6° | 0.7° |
| C4 | C5 | C6 | H4 | 177.4° | 180.0° |
| C4 | C3 | C2 | O | 3.0° | 0.6° |
| C3 | C4 | C5 | C6 | 6.4° | 1.0° |
| C4 | C3 | C2 | C8 | 174.3° | 179.2° |
| C4 | C3 | C2 | C1 | 173.7° | 180.0° |
| C4 | C3 | C8 | C7 | 3.3° | 0.3° |
| C4 | C3 | C8 | N1 | 175.9° | 179.7° |
| C3 | C4 | C5 | H3 | 173.6° | 180.0° |
| O | C2 | C3 | C1 | 176.7° | 179.5° |
| O | C2 | C3 | C8 | 177.4° | 179.7° |
| O | C2 | C1 | C | 0.9° | 0.0° |
| O | C2 | C1 | C9 | 177.2° | 180.0° |
| C5 | C6 | C7 | H4 | 180.0° | 179.3° |
| C5 | C6 | C7 | C8 | 0.8° | 0.2° |
| C6 | C5 | C4 | H2 | 173.6° | 180.0° |
| C5 | C6 | C7 | H5 | 179.2° | 179.8° |
| C2 | C3 | C8 | C7 | 171.2° | 179.5° |
| C2 | C3 | C8 | N1 | 1.5° | 0.5° |
| C3 | C2 | C1 | C | 175.4° | 179.5° |
| C3 | C2 | C1 | C9 | 0.9° | 0.6° |
| C2 | C3 | C4 | H2 | 12.5° | 1.0° |
| C3 | C2 | O | H1 | 180.0° | 179.5° |
| C8 | C3 | C2 | C1 | 0.7° | 0.8° |
| C3 | C8 | C7 | C6 | 0.4° | 0.0° |
| C3 | C8 | C7 | N1 | 172.5° | 180.0° |
| C3 | C8 | N1 | C9 | 3.6° | 0.0° |
| C3 | C8 | N1 | H | 176.4° | 179.7° |
| C8 | C3 | C4 | H2 | 173.3° | 179.8° |
| C3 | C8 | C7 | H5 | 179.6° | 180.0° |
| C2 | C1 | C | C9 | 176.5° | 180.0° |
| C2 | C1 | C | N | 4.3° | 151.0° |
| C2 | C1 | C9 | N1 | 1.0° | 0.1° |
| C2 | C1 | C9 | O1 | 171.4° | 180.0° |
| C1 | C2 | O | H1 | 3.5° | 0.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | N1 | 172.1° | 180.0° |
| C7 | C6 | C5 | H3 | 177.4° | 179.7° |
| C7 | C8 | N1 | C9 | 168.8° | 180.0° |
| C7 | C8 | N1 | H | 11.2° | 0.3° |
| C8 | C7 | C6 | H4 | 179.2° | 179.5° |
| C8 | N1 | C9 | C1 | 3.3° | 0.2° |
| C8 | N1 | C9 | H | 180.0° | 179.7° |
| C8 | N1 | C9 | O1 | 169.3° | 179.7° |
| N1 | C8 | C7 | H5 | 7.9° | 0.1° |
| C | C1 | C9 | N1 | 177.4° | 180.0° |
| C | C1 | C9 | O1 | 4.9° | 0.0° |
| C9 | C1 | C | N | 172.2° | 28.9° |
| C1 | C9 | N1 | O1 | 172.6° | 179.9° |
| C1 | C9 | N1 | H | 176.7° | 179.9° |
| O1 | C9 | N1 | H | 10.7° | 0.0° |
| H2 | C4 | C5 | H3 | 6.4° | 1.0° |
| H3 | C5 | C6 | H4 | 2.6° | 1.0° |
| H4 | C6 | C7 | H5 | 0.8° | 0.5° |
