3QV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C7 | trip | 1.14Å | 1.15Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O2 | C8 | doub | 1.22Å | 1.23Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | O3 | sing | 1.35Å | 1.38Å | |
| O3 | C9 | sing | 1.35Å | 1.39Å | |
| C9 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.42Å | |
| C6 | C5 | doub | 1.39Å | 1.37Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | C6 | sing | 1.47Å | 1.44Å | |
| C7 | C6 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C1 | O1 | 120.9° | 119.7° |
| C10 | C1 | C2 | 120.4° | 120.5° |
| C1 | C10 | C9 | 119.5° | 119.9° |
| C1 | C10 | H10 | 120.2° | 120.1° |
| O1 | C1 | C2 | 118.7° | 119.8° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 119.9° | 120.5° |
| C1 | C2 | H2 | 120.1° | 119.8° |
| N1 | C7 | C6 | 179.6° | 179.9° |
| C3 | C2 | H2 | 120.1° | 119.8° |
| C2 | C3 | C4 | 120.1° | 119.9° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| O2 | C8 | O3 | 119.9° | 121.1° |
| O2 | C8 | C6 | 120.8° | 121.0° |
| C4 | C3 | H3 | 119.9° | 120.1° |
| C3 | C4 | C9 | 119.3° | 119.8° |
| C3 | C4 | C5 | 121.4° | 120.4° |
| C8 | O3 | C9 | 120.1° | 116.4° |
| O3 | C8 | C6 | 119.3° | 117.9° |
| O3 | C9 | C4 | 121.1° | 120.3° |
| O3 | C9 | C10 | 118.2° | 120.2° |
| C9 | C4 | C5 | 119.2° | 119.8° |
| C4 | C9 | C10 | 120.8° | 119.4° |
| C4 | C5 | C6 | 119.9° | 118.0° |
| C4 | C5 | H5 | 120.1° | 121.0° |
| C6 | C5 | H5 | 120.1° | 121.1° |
| C5 | C6 | C8 | 120.4° | 117.2° |
| C5 | C6 | C7 | 119.7° | 121.4° |
| C8 | C6 | C7 | 119.9° | 121.4° |
| C9 | C10 | H10 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C1 | O1 | C2 | 179.9° | 179.7° |
| C10 | C1 | O1 | HO1 | 180.0° | 90.3° |
| C10 | C1 | C2 | C3 | 0.1° | 1.1° |
| C10 | C1 | C2 | H2 | 179.9° | 179.0° |
| C1 | C10 | C9 | O3 | 180.0° | 178.7° |
| C1 | C10 | C9 | C4 | 0.0° | 1.0° |
| C1 | C10 | C9 | H10 | 180.0° | 179.8° |
| O1 | C1 | C2 | C3 | 180.0° | 179.2° |
| O1 | C1 | C2 | H2 | 0.0° | 0.6° |
| O1 | C1 | C10 | C9 | 180.0° | 179.5° |
| O1 | C1 | C10 | H10 | 0.0° | 0.3° |
| C2 | C1 | O1 | HO1 | 0.1° | 90.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C1 | C2 | C3 | H3 | 179.9° | 179.4° |
| C2 | C1 | C10 | C9 | 0.1° | 0.9° |
| C2 | C1 | C10 | H10 | 179.9° | 179.4° |
| N1 | C7 | C6 | C5 | 28.9° | 161.3° |
| N1 | C7 | C6 | C8 | 151.3° | 18.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C9 | 0.1° | 2.3° |
| C2 | C3 | C4 | C5 | 180.0° | 178.0° |
| H2 | C2 | C3 | C4 | 179.9° | 179.4° |
| H2 | C2 | C3 | H3 | 0.1° | 0.7° |
| O2 | C8 | O3 | C6 | 179.8° | 180.0° |
| O2 | C8 | O3 | C9 | 180.0° | 140.8° |
| O2 | C8 | C6 | C5 | 180.0° | 153.7° |
| O2 | C8 | C6 | C7 | 0.2° | 26.4° |
| C3 | C4 | C9 | O3 | 179.9° | 177.1° |
| C3 | C4 | C9 | C5 | 179.9° | 179.6° |
| C3 | C4 | C5 | C6 | 180.0° | 170.2° |
| C3 | C4 | C5 | H5 | 0.1° | 9.7° |
| C3 | C4 | C9 | C10 | 0.1° | 2.6° |
| H3 | C3 | C4 | C9 | 179.9° | 177.6° |
| H3 | C3 | C4 | C5 | 0.0° | 2.0° |
| C8 | O3 | C9 | C4 | 0.1° | 27.6° |
| O3 | C8 | C6 | C5 | 0.2° | 26.4° |
| O3 | C8 | C6 | C7 | 179.9° | 153.5° |
| C8 | O3 | C9 | C10 | 179.9° | 152.8° |
| O3 | C9 | C4 | C10 | 180.0° | 179.6° |
| O3 | C9 | C4 | C5 | 0.0° | 2.6° |
| C9 | O3 | C8 | C6 | 0.2° | 39.3° |
| O3 | C9 | C10 | H10 | 0.1° | 1.6° |
| C9 | C4 | C5 | C6 | 0.0° | 10.1° |
| C9 | C4 | C5 | H5 | 180.0° | 169.9° |
| C4 | C9 | C10 | H10 | 179.9° | 178.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C8 | 0.2° | 1.4° |
| C4 | C5 | C6 | C7 | 180.0° | 178.5° |
| C5 | C4 | C9 | C10 | 180.0° | 177.8° |
| C5 | C6 | C8 | C7 | 179.8° | 179.9° |
| H5 | C5 | C6 | C8 | 179.9° | 178.6° |
| H5 | C5 | C6 | C7 | 0.0° | 1.5° |
