YEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.22Å | 1.23Å | |
| C | N | sing | 1.35Å | 1.36Å | |
| N | N1 | sing | 1.40Å | 1.37Å | |
| N1 | C1 | doub | 1.30Å | 1.30Å | |
| C1 | C2 | sing | 1.41Å | 1.42Å | |
| C2 | C3 | sing | 1.47Å | 1.45Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | O1 | sing | 1.35Å | 1.38Å | Aromatic |
| O1 | C9 | sing | 1.35Å | 1.39Å | Aromatic |
| C9 | C | sing | 1.41Å | 1.45Å | |
| C2 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 120.9° | 120.3° |
| O | C | C9 | 126.6° | 120.3° |
| C | N | N1 | 127.4° | 120.9° |
| N | C | C9 | 112.6° | 119.4° |
| C | N | H | 116.3° | 119.5° |
| N | N1 | C1 | 116.8° | 121.2° |
| N1 | N | H | 116.3° | 119.5° |
| N1 | C1 | C2 | 124.1° | 120.2° |
| N1 | C1 | H1 | 118.0° | 119.9° |
| C1 | C2 | C3 | 136.8° | 134.3° |
| C1 | C2 | C9 | 116.6° | 119.9° |
| C2 | C1 | H1 | 118.0° | 119.9° |
| C2 | C3 | C4 | 135.3° | 134.2° |
| C2 | C3 | C8 | 105.8° | 105.7° |
| C3 | C2 | C9 | 106.4° | 105.8° |
| C3 | C4 | C5 | 119.4° | 119.8° |
| C4 | C3 | C8 | 118.8° | 120.1° |
| C3 | C4 | H2 | 120.3° | 120.2° |
| C4 | C5 | C6 | 120.6° | 120.2° |
| C5 | C4 | H2 | 120.3° | 120.1° |
| C4 | C5 | H3 | 119.7° | 119.9° |
| C5 | C6 | C7 | 120.6° | 120.7° |
| C6 | C5 | H3 | 119.7° | 119.9° |
| C5 | C6 | H4 | 119.7° | 119.7° |
| C6 | C7 | C8 | 117.8° | 120.1° |
| C7 | C6 | H4 | 119.7° | 119.6° |
| C6 | C7 | H5 | 121.1° | 120.0° |
| C7 | C8 | C3 | 122.7° | 119.2° |
| C7 | C8 | O1 | 126.2° | 132.6° |
| C8 | C7 | H5 | 121.1° | 119.9° |
| C3 | C8 | O1 | 110.9° | 108.2° |
| C8 | O1 | C9 | 105.8° | 111.4° |
| O1 | C9 | C | 126.3° | 132.7° |
| O1 | C9 | C2 | 111.1° | 108.8° |
| C | C9 | C2 | 122.5° | 118.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | C9 | 179.9° | 180.0° |
| O | C | N | N1 | 179.6° | 180.0° |
| O | C | C9 | O1 | 3.8° | 0.1° |
| O | C | C9 | C2 | 179.4° | 180.0° |
| O | C | N | H | 0.3° | 0.0° |
| C | N | N1 | H | 180.0° | 180.0° |
| C | N | N1 | C1 | 0.2° | 0.0° |
| N | C | C9 | O1 | 176.3° | 179.9° |
| N | C | C9 | C2 | 0.6° | 0.0° |
| N | N1 | C1 | C2 | 0.5° | 0.0° |
| N1 | N | C | C9 | 0.3° | 0.0° |
| N | N1 | C1 | H1 | 179.5° | 180.0° |
| N1 | C1 | C2 | H1 | 180.0° | 180.0° |
| N1 | C1 | C2 | C3 | 175.6° | 179.9° |
| N1 | C1 | C2 | C9 | 0.2° | 0.0° |
| C1 | N1 | N | H | 179.8° | 180.0° |
| C1 | C2 | C3 | C9 | 176.1° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.1° |
| C1 | C2 | C3 | C8 | 175.6° | 179.9° |
| C1 | C2 | C9 | O1 | 177.0° | 179.9° |
| C1 | C2 | C9 | C | 0.4° | 0.0° |
| C2 | C3 | C4 | C8 | 174.6° | 179.9° |
| C2 | C3 | C4 | C5 | 173.3° | 179.9° |
| C2 | C3 | C8 | C7 | 175.4° | 180.0° |
| C2 | C3 | C8 | O1 | 0.8° | 0.0° |
| C3 | C2 | C9 | O1 | 0.1° | 0.0° |
| C3 | C2 | C9 | C | 177.4° | 179.9° |
| C2 | C3 | C4 | H2 | 6.7° | 0.0° |
| C3 | C2 | C1 | H1 | 4.4° | 0.1° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C4 | C3 | C8 | C7 | 0.7° | 0.0° |
| C4 | C3 | C8 | O1 | 176.8° | 180.0° |
| C4 | C3 | C2 | C9 | 175.6° | 180.0° |
| C3 | C4 | C5 | H3 | 179.3° | 179.9° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | C8 | 1.3° | 0.0° |
| C4 | C5 | C6 | H4 | 179.4° | 179.9° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.1° | 0.0° |
| C6 | C5 | C4 | H2 | 179.3° | 179.9° |
| C5 | C6 | C7 | H5 | 178.9° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.5° | 0.0° |
| C6 | C7 | C8 | O1 | 175.0° | 180.0° |
| C7 | C6 | C5 | H3 | 179.4° | 179.9° |
| C7 | C8 | C3 | O1 | 176.1° | 180.0° |
| C7 | C8 | O1 | C9 | 175.2° | 180.0° |
| C8 | C7 | C6 | H4 | 178.9° | 179.9° |
| C3 | C8 | O1 | C9 | 0.7° | 0.0° |
| C8 | C3 | C2 | C9 | 0.5° | 0.0° |
| C8 | C3 | C4 | H2 | 178.7° | 179.9° |
| C3 | C8 | C7 | H5 | 179.5° | 180.0° |
| C8 | O1 | C9 | C | 176.8° | 179.9° |
| C8 | O1 | C9 | C2 | 0.4° | 0.0° |
| O1 | C8 | C7 | H5 | 5.0° | 0.0° |
| O1 | C9 | C | C2 | 176.9° | 179.9° |
| C9 | C | N | H | 179.7° | 180.0° |
| C9 | C2 | C1 | H1 | 179.8° | 180.0° |
| H2 | C4 | C5 | H3 | 0.7° | 0.1° |
| H3 | C5 | C6 | H4 | 0.6° | 0.0° |
| H4 | C6 | C7 | H5 | 1.1° | 0.1° |
