9W9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| N | C6 | trip | 1.14Å | 1.14Å | |
| C6 | C2 | sing | 1.43Å | 1.44Å | |
| C5 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C | O | sing | 1.36Å | 1.36Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 120.6° | 120.2° |
| C4 | C3 | C2 | 119.8° | 120.0° |
| C4 | C3 | H2 | 120.1° | 120.0° |
| C3 | C4 | H3 | 119.7° | 120.0° |
| C4 | C5 | C | 119.6° | 120.2° |
| C5 | C4 | H3 | 119.7° | 119.8° |
| C4 | C5 | H4 | 120.2° | 119.9° |
| C3 | C2 | C6 | 120.1° | 120.1° |
| C3 | C2 | C1 | 119.9° | 119.7° |
| C2 | C3 | H2 | 120.1° | 120.0° |
| N | C6 | C2 | 178.2° | 180.0° |
| C6 | C2 | C1 | 119.5° | 120.2° |
| C5 | C | C1 | 120.4° | 120.0° |
| C5 | C | O | 119.0° | 120.0° |
| C | C5 | H4 | 120.2° | 119.9° |
| C2 | C1 | C | 119.7° | 119.8° |
| C2 | C1 | H1 | 120.1° | 120.1° |
| C1 | C | O | 120.5° | 120.0° |
| C | C1 | H1 | 120.1° | 120.1° |
| C | O | H | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C6 | 168.9° | 179.7° |
| C3 | C4 | C5 | C | 0.8° | 0.0° |
| C4 | C3 | C2 | C1 | 2.9° | 0.0° |
| C3 | C4 | C5 | H4 | 179.2° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C5 | C | H4 | 180.0° | 179.9° |
| C4 | C5 | C | C1 | 0.3° | 0.0° |
| C4 | C5 | C | O | 178.2° | 180.0° |
| C5 | C4 | C3 | H2 | 179.2° | 180.0° |
| C3 | C2 | C6 | N | 157.0° | 179.5° |
| C3 | C2 | C6 | C1 | 171.8° | 179.7° |
| C3 | C2 | C1 | C | 3.4° | 0.0° |
| C2 | C3 | C4 | H3 | 179.2° | 180.0° |
| C3 | C2 | C1 | H1 | 176.6° | 180.0° |
| N | C6 | C2 | C1 | 14.9° | 0.8° |
| C6 | C2 | C1 | C | 168.5° | 179.7° |
| C6 | C2 | C3 | H2 | 11.1° | 0.3° |
| C6 | C2 | C1 | H1 | 11.5° | 0.3° |
| C5 | C | C1 | C2 | 1.8° | 0.0° |
| C5 | C | C1 | O | 177.8° | 180.0° |
| C | C5 | C4 | H3 | 179.2° | 180.0° |
| C5 | C | O | H | 180.0° | 90.0° |
| C5 | C | C1 | H1 | 178.3° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 180.0° |
| C2 | C1 | C | O | 176.1° | 180.0° |
| C1 | C2 | C3 | H2 | 177.1° | 180.0° |
| C1 | C | C5 | H4 | 179.7° | 180.0° |
| C1 | C | O | H | 2.2° | 90.0° |
| O | C | C5 | H4 | 1.8° | 0.0° |
| O | C | C1 | H1 | 3.9° | 0.0° |
| H2 | C3 | C4 | H3 | 0.8° | 0.0° |
| H3 | C4 | C5 | H4 | 0.8° | 0.0° |
