Y0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C1 | sing | 1.47Å | 1.50Å | |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | I1 | sing | 2.10Å | 2.14Å | |
| C4 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | O1 | sing | 1.35Å | 1.27Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| I2 | C3 | sing | 2.09Å | 2.13Å | |
| C6 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| O3 | C11 | doub | 1.22Å | 1.27Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.35Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C11 | 119.1° | 120.2° |
| C2 | C1 | C6 | 119.4° | 119.7° |
| C1 | C2 | C3 | 121.7° | 120.0° |
| C1 | C2 | H2 | 119.1° | 120.0° |
| C11 | C1 | C6 | 121.5° | 120.1° |
| C1 | C11 | O1 | 117.4° | 120.0° |
| C1 | C11 | O3 | 115.7° | 120.0° |
| C1 | C6 | O2 | 118.3° | 120.1° |
| C1 | C6 | C5 | 120.0° | 119.7° |
| I1 | C5 | C4 | 121.6° | 120.0° |
| I1 | C5 | C6 | 118.1° | 120.0° |
| C4 | N1 | C7 | 124.0° | 125.7° |
| C4 | N1 | C10 | 127.5° | 125.7° |
| N1 | C4 | C3 | 123.7° | 119.9° |
| N1 | C4 | C5 | 116.1° | 119.9° |
| C7 | N1 | C10 | 108.5° | 108.7° |
| N1 | C7 | C8 | 108.9° | 108.2° |
| N1 | C7 | H7 | 125.6° | 125.9° |
| N1 | C10 | C9 | 107.9° | 108.2° |
| N1 | C10 | H10 | 126.1° | 126.0° |
| C11 | O1 | HO1 | 109.5° | 117.0° |
| O1 | C11 | O3 | 126.8° | 120.0° |
| C3 | C2 | H2 | 119.1° | 120.0° |
| C2 | C3 | I2 | 115.3° | 119.9° |
| C2 | C3 | C4 | 118.4° | 120.2° |
| I2 | C3 | C4 | 126.3° | 119.9° |
| C6 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C6 | C5 | 121.8° | 120.1° |
| C3 | C4 | C5 | 120.2° | 120.2° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C8 | C7 | H7 | 125.6° | 125.9° |
| C7 | C8 | C9 | 106.9° | 107.5° |
| C7 | C8 | H8 | 126.5° | 126.2° |
| C9 | C8 | H8 | 126.6° | 126.2° |
| C8 | C9 | C10 | 107.8° | 107.4° |
| C8 | C9 | H9 | 126.1° | 126.3° |
| C10 | C9 | H9 | 126.1° | 126.3° |
| C9 | C10 | H10 | 126.0° | 125.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C11 | C6 | 179.9° | 179.8° |
| C2 | C1 | C11 | O1 | 175.8° | 0.2° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | I2 | 179.8° | 180.0° |
| C2 | C1 | C6 | O2 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C11 | O3 | 4.5° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C1 | C11 | O1 | O3 | 179.7° | 179.9° |
| C1 | C11 | O1 | HO1 | 179.7° | 180.0° |
| C11 | C1 | C2 | C3 | 179.9° | 179.7° |
| C11 | C1 | C2 | H2 | 0.1° | 0.3° |
| C11 | C1 | C6 | O2 | 0.0° | 0.2° |
| C11 | C1 | C6 | C5 | 179.8° | 179.7° |
| C1 | C6 | C5 | I1 | 179.4° | 180.0° |
| C6 | C1 | C11 | O1 | 4.1° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | O2 | C5 | 179.8° | 179.9° |
| C1 | C6 | O2 | HO2 | 180.0° | 90.0° |
| C6 | C1 | C11 | O3 | 175.6° | 0.1° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| I1 | C5 | C4 | N1 | 1.5° | 0.0° |
| I1 | C5 | C6 | O2 | 0.3° | 0.1° |
| I1 | C5 | C4 | C3 | 179.7° | 179.9° |
| I1 | C5 | C4 | C6 | 179.3° | 180.0° |
| C4 | N1 | C7 | C10 | 178.9° | 179.8° |
| N1 | C4 | C3 | C2 | 179.2° | 180.0° |
| N1 | C4 | C3 | I2 | 1.4° | 0.0° |
| N1 | C4 | C3 | C5 | 178.7° | 180.0° |
| N1 | C4 | C5 | C6 | 179.1° | 180.0° |
| C4 | N1 | C7 | C8 | 178.6° | 179.8° |
| C4 | N1 | C7 | H7 | 1.5° | 0.2° |
| C4 | N1 | C10 | C9 | 178.8° | 179.8° |
| C4 | N1 | C10 | H10 | 1.2° | 0.3° |
| C7 | N1 | C4 | C3 | 103.9° | 65.0° |
| C7 | N1 | C4 | C5 | 74.8° | 115.1° |
| N1 | C7 | C8 | H7 | 180.0° | 180.0° |
| N1 | C7 | C8 | C9 | 0.5° | 0.0° |
| N1 | C7 | C8 | H8 | 179.5° | 180.0° |
| C7 | N1 | C10 | C9 | 0.1° | 0.0° |
| C7 | N1 | C10 | H10 | 179.9° | 180.0° |
| C10 | N1 | C4 | C3 | 77.4° | 115.3° |
| C10 | N1 | C4 | C5 | 103.9° | 64.7° |
| C10 | N1 | C7 | C8 | 0.4° | 0.0° |
| C10 | N1 | C7 | H7 | 179.6° | 180.0° |
| N1 | C10 | C9 | C8 | 0.2° | 0.0° |
| N1 | C10 | C9 | H10 | 180.0° | 180.0° |
| N1 | C10 | C9 | H9 | 179.7° | 180.0° |
| HO1 | O1 | C11 | O3 | 0.0° | 0.1° |
| C2 | C3 | I2 | C4 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| H2 | C2 | C3 | I2 | 0.2° | 0.0° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| I2 | C3 | C4 | C5 | 179.9° | 180.0° |
| O2 | C6 | C5 | C4 | 179.7° | 179.9° |
| HO2 | O2 | C6 | C5 | 0.2° | 90.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| H7 | C7 | C8 | C9 | 179.5° | 180.0° |
| H7 | C7 | C8 | H8 | 0.5° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| H8 | C8 | C9 | C10 | 179.6° | 180.0° |
| H8 | C8 | C9 | H9 | 0.5° | 0.1° |
| H9 | C9 | C10 | H10 | 0.3° | 0.0° |
