O4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | N2 | sing | 1.36Å | 1.39Å | |
| C10 | C11 | sing | 1.47Å | 1.46Å | |
| N2 | C4 | doub | 1.30Å | 1.28Å | |
| O2 | C3 | doub | 1.21Å | 1.25Å | |
| C11 | O3 | doub | 1.22Å | 1.23Å | |
| C11 | N1 | sing | 1.35Å | 1.39Å | |
| C4 | N1 | sing | 1.36Å | 1.37Å | |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| C3 | O1 | sing | 1.34Å | 1.28Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.4° | 120.8° |
| C7 | C8 | C9 | 120.6° | 120.6° |
| C8 | C7 | H8 | 119.8° | 119.6° |
| C7 | C8 | H9 | 119.7° | 119.8° |
| C7 | C6 | C5 | 120.3° | 119.7° |
| C7 | C6 | H7 | 119.9° | 120.2° |
| C6 | C7 | H8 | 119.8° | 119.5° |
| C8 | C9 | C10 | 119.4° | 119.5° |
| C9 | C8 | H9 | 119.7° | 119.7° |
| C8 | C9 | H10 | 120.3° | 120.2° |
| C6 | C5 | C10 | 119.6° | 119.3° |
| C6 | C5 | N2 | 118.4° | 121.7° |
| C5 | C6 | H7 | 119.8° | 120.1° |
| C9 | C10 | C5 | 119.6° | 120.1° |
| C9 | C10 | C11 | 121.4° | 121.9° |
| C10 | C9 | H10 | 120.3° | 120.3° |
| C10 | C5 | N2 | 122.0° | 119.0° |
| C5 | C10 | C11 | 118.9° | 118.0° |
| C5 | N2 | C4 | 117.1° | 121.7° |
| C10 | C11 | O3 | 125.3° | 121.3° |
| C10 | C11 | N1 | 114.5° | 117.4° |
| N2 | C4 | N1 | 125.8° | 123.3° |
| N2 | C4 | H6 | 117.1° | 118.4° |
| O2 | C3 | C2 | 116.4° | 120.0° |
| O2 | C3 | O1 | 127.6° | 120.0° |
| O3 | C11 | N1 | 120.2° | 121.3° |
| C11 | N1 | C4 | 121.6° | 120.6° |
| C11 | N1 | C2 | 118.9° | 119.7° |
| C4 | N1 | C2 | 119.4° | 119.7° |
| N1 | C4 | H6 | 117.1° | 118.3° |
| N1 | C2 | C3 | 113.3° | 109.5° |
| N1 | C2 | C1 | 110.8° | 109.4° |
| N1 | C2 | H4 | 107.0° | 109.5° |
| C2 | C3 | O1 | 115.9° | 120.0° |
| C3 | C2 | C1 | 112.9° | 109.4° |
| C3 | C2 | H4 | 106.2° | 109.5° |
| C3 | O1 | H5 | 109.5° | 117.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 106.2° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 2.3° | 0.1° |
| C7 | C8 | C9 | C10 | 2.1° | 0.0° |
| C8 | C7 | C6 | H7 | 177.7° | 180.0° |
| C7 | C8 | C9 | H10 | 177.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C7 | C6 | C5 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 1.6° | 0.0° |
| C7 | C6 | C5 | N2 | 177.8° | 179.8° |
| C6 | C7 | C8 | H9 | 179.6° | 179.9° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 2.7° | 0.1° |
| C8 | C9 | C10 | C11 | 177.7° | 180.0° |
| C9 | C8 | C7 | H8 | 179.6° | 180.0° |
| C6 | C5 | C10 | C9 | 0.9° | 0.0° |
| C6 | C5 | C10 | N2 | 179.4° | 179.8° |
| C6 | C5 | C10 | C11 | 179.5° | 180.0° |
| C6 | C5 | N2 | C4 | 178.6° | 179.8° |
| C5 | C6 | C7 | H8 | 177.7° | 180.0° |
| C9 | C10 | C5 | C11 | 179.6° | 180.0° |
| C9 | C10 | C5 | N2 | 179.7° | 179.7° |
| C9 | C10 | C11 | O3 | 1.1° | 0.1° |
| C9 | C10 | C11 | N1 | 179.7° | 179.5° |
| C10 | C9 | C8 | H9 | 177.9° | 180.0° |
| C10 | C5 | N2 | C4 | 0.7° | 0.0° |
| C5 | C10 | C11 | O3 | 178.5° | 180.0° |
| C5 | C10 | C11 | N1 | 0.1° | 0.4° |
| C10 | C5 | C6 | H7 | 178.4° | 180.0° |
| C5 | C10 | C9 | H10 | 177.2° | 179.9° |
| N2 | C5 | C10 | C11 | 0.1° | 0.2° |
| C5 | N2 | C4 | N1 | 1.8° | 0.1° |
| C5 | N2 | C4 | H6 | 178.2° | 180.0° |
| N2 | C5 | C6 | H7 | 2.2° | 0.3° |
| C10 | C11 | O3 | N1 | 178.5° | 179.6° |
| C10 | C11 | N1 | C4 | 0.8° | 0.5° |
| C10 | C11 | N1 | C2 | 177.1° | 179.8° |
| C11 | C10 | C9 | H10 | 2.3° | 0.0° |
| N2 | C4 | N1 | C11 | 1.9° | 0.3° |
| N2 | C4 | N1 | H6 | 180.0° | 179.9° |
| N2 | C4 | N1 | C2 | 178.2° | 180.0° |
| O2 | C3 | C2 | N1 | 26.4° | 0.1° |
| O2 | C3 | C2 | O1 | 179.2° | 179.9° |
| O2 | C3 | C2 | C1 | 100.6° | 120.0° |
| O2 | C3 | C2 | H4 | 143.4° | 120.0° |
| O2 | C3 | O1 | H5 | 0.0° | 0.1° |
| O3 | C11 | N1 | C4 | 179.5° | 179.9° |
| O3 | C11 | N1 | C2 | 4.2° | 0.2° |
| C11 | N1 | C4 | C2 | 176.3° | 179.7° |
| C11 | N1 | C2 | C3 | 82.0° | 119.8° |
| C11 | N1 | C2 | C1 | 150.0° | 120.3° |
| C11 | N1 | C2 | H4 | 34.6° | 0.3° |
| C11 | N1 | C4 | H6 | 178.1° | 179.8° |
| C4 | N1 | C2 | C3 | 101.6° | 60.0° |
| C4 | N1 | C2 | C1 | 26.4° | 60.0° |
| C4 | N1 | C2 | H4 | 141.7° | 180.0° |
| N1 | C2 | C3 | C1 | 126.9° | 120.0° |
| N1 | C2 | C3 | H4 | 117.1° | 120.1° |
| N1 | C2 | C3 | O1 | 152.9° | 180.0° |
| N1 | C2 | C1 | H4 | 115.8° | 120.0° |
| N1 | C2 | C1 | H1 | 180.0° | 60.0° |
| N1 | C2 | C1 | H2 | 60.0° | 60.0° |
| N1 | C2 | C1 | H3 | 60.0° | 180.0° |
| C2 | N1 | C4 | H6 | 1.8° | 0.0° |
| C3 | C2 | C1 | H4 | 115.9° | 120.0° |
| C3 | C2 | C1 | H1 | 51.8° | 60.0° |
| C3 | C2 | C1 | H2 | 68.2° | 180.0° |
| C3 | C2 | C1 | H3 | 171.8° | 60.0° |
| C2 | C3 | O1 | H5 | 179.1° | 180.0° |
| O1 | C3 | C2 | C1 | 80.2° | 60.1° |
| O1 | C3 | C2 | H4 | 35.8° | 59.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 64.2° | 180.0° |
| H2 | C1 | C2 | H4 | 175.8° | 60.0° |
| H3 | C1 | C2 | H4 | 55.8° | 60.0° |
| H7 | C6 | C7 | H8 | 2.3° | 0.0° |
| H8 | C7 | C8 | H9 | 0.4° | 0.1° |
| H9 | C8 | C9 | H10 | 2.1° | 0.0° |
