H2Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| O2 | C7 | doub | 1.21Å | 1.22Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | N1 | sing | 1.35Å | 1.35Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C8 | N1 | sing | 1.40Å | 1.41Å | |
| C8 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C12 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 119.0° | 119.2° |
| C10 | C9 | C8 | 118.9° | 118.4° |
| C9 | C10 | H5 | 120.5° | 120.4° |
| C10 | C9 | H11 | 120.6° | 120.8° |
| C10 | C11 | N2 | 123.1° | 120.9° |
| C11 | C10 | H5 | 120.5° | 120.4° |
| C10 | C11 | H12 | 118.4° | 119.6° |
| C9 | C8 | N1 | 122.0° | 120.5° |
| C9 | C8 | C12 | 117.7° | 119.0° |
| C8 | C9 | H11 | 120.5° | 120.9° |
| O2 | C7 | N1 | 123.5° | 120.0° |
| O2 | C7 | C6 | 121.6° | 120.0° |
| C1 | O1 | C2 | 117.0° | 117.0° |
| O1 | C1 | H7 | 109.5° | 109.5° |
| O1 | C1 | H8 | 109.5° | 109.5° |
| O1 | C1 | H9 | 109.5° | 109.4° |
| C13 | C14 | C2 | 119.8° | 119.9° |
| C14 | C13 | C5 | 121.3° | 120.0° |
| C14 | C13 | H6 | 119.4° | 119.9° |
| C13 | C14 | H14 | 120.1° | 120.1° |
| C14 | C2 | O1 | 119.1° | 120.0° |
| C14 | C2 | C3 | 119.8° | 119.9° |
| C2 | C14 | H14 | 120.1° | 120.0° |
| C13 | C5 | C6 | 120.8° | 119.9° |
| C13 | C5 | C4 | 118.1° | 120.2° |
| C5 | C13 | H6 | 119.4° | 120.0° |
| C11 | N2 | C12 | 117.8° | 121.7° |
| N2 | C11 | H12 | 118.4° | 119.5° |
| N1 | C7 | C6 | 114.9° | 120.0° |
| C7 | N1 | C8 | 126.9° | 120.0° |
| C7 | N1 | H1 | 116.5° | 120.0° |
| C7 | C6 | C5 | 112.0° | 109.5° |
| C7 | C6 | H3 | 108.9° | 109.4° |
| C7 | C6 | H4 | 108.8° | 109.5° |
| N1 | C8 | C12 | 120.2° | 120.5° |
| C8 | N1 | H1 | 116.5° | 120.0° |
| C8 | C12 | N2 | 123.4° | 120.7° |
| C8 | C12 | H13 | 118.3° | 119.7° |
| O1 | C2 | C3 | 121.0° | 120.1° |
| C2 | C3 | C4 | 119.6° | 119.9° |
| C2 | C3 | H10 | 120.2° | 120.0° |
| C6 | C5 | C4 | 121.2° | 119.9° |
| C5 | C6 | H3 | 108.8° | 109.4° |
| C5 | C6 | H4 | 108.8° | 109.5° |
| C5 | C4 | C3 | 121.4° | 120.1° |
| C5 | C4 | H2 | 119.3° | 120.0° |
| N2 | C12 | H13 | 118.3° | 119.6° |
| C3 | C4 | H2 | 119.3° | 120.0° |
| C4 | C3 | H10 | 120.2° | 120.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | H11 | 180.0° | 180.0° |
| C9 | C10 | C11 | N2 | 0.7° | 0.3° |
| C10 | C9 | C8 | N1 | 179.6° | 180.0° |
| C10 | C9 | C8 | C12 | 1.1° | 0.3° |
| C9 | C10 | C11 | H12 | 179.4° | 179.9° |
| C11 | C10 | C9 | C8 | 0.6° | 0.0° |
| C10 | C11 | N2 | H12 | 180.0° | 179.6° |
| C10 | C11 | N2 | C12 | 1.3° | 0.3° |
| C11 | C10 | C9 | H11 | 179.4° | 180.0° |
| C9 | C8 | N1 | C7 | 20.2° | 35.2° |
| C9 | C8 | N1 | C12 | 179.3° | 179.7° |
| C9 | C8 | C12 | N2 | 0.4° | 0.3° |
| C9 | C8 | N1 | H1 | 159.8° | 144.5° |
| C8 | C9 | C10 | H5 | 179.4° | 180.0° |
| C9 | C8 | C12 | H13 | 179.6° | 179.8° |
| O2 | C7 | N1 | C6 | 178.1° | 179.9° |
| O2 | C7 | N1 | C8 | 4.0° | 4.4° |
| O2 | C7 | C6 | C5 | 38.7° | 0.1° |
| O2 | C7 | N1 | H1 | 176.0° | 175.3° |
| O2 | C7 | C6 | H3 | 81.6° | 120.0° |
| O2 | C7 | C6 | H4 | 159.1° | 120.0° |
| C1 | O1 | C2 | C14 | 25.8° | 0.0° |
| C1 | O1 | C2 | C3 | 154.1° | 180.0° |
| O1 | C1 | H7 | H8 | 120.0° | 120.1° |
| O1 | C1 | H7 | H9 | 120.0° | 120.0° |
| O1 | C1 | H8 | H9 | 120.0° | 119.9° |
| C13 | C14 | C2 | H14 | 180.0° | 179.8° |
| C14 | C13 | C5 | H6 | 180.0° | 180.0° |
| C13 | C14 | C2 | O1 | 179.9° | 179.8° |
| C13 | C14 | C2 | C3 | 0.1° | 0.3° |
| C14 | C13 | C5 | C6 | 179.5° | 180.0° |
| C14 | C13 | C5 | C4 | 1.3° | 0.1° |
| C2 | C14 | C13 | C5 | 0.7° | 0.3° |
| C14 | C2 | O1 | C3 | 179.8° | 180.0° |
| C14 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C14 | C13 | H6 | 179.3° | 179.8° |
| C14 | C2 | C3 | H10 | 179.8° | 180.0° |
| C13 | C5 | C6 | C7 | 79.9° | 89.9° |
| C13 | C5 | C6 | C4 | 179.2° | 179.9° |
| C13 | C5 | C4 | C3 | 1.4° | 0.2° |
| C13 | C5 | C4 | H2 | 178.7° | 180.0° |
| C13 | C5 | C6 | H3 | 40.5° | 30.0° |
| C13 | C5 | C6 | H4 | 159.8° | 150.1° |
| C5 | C13 | C14 | H14 | 179.3° | 180.0° |
| C11 | N2 | C12 | C8 | 0.8° | 0.0° |
| N2 | C11 | C10 | H5 | 179.4° | 179.7° |
| C11 | N2 | C12 | H13 | 179.2° | 179.9° |
| C7 | N1 | C8 | H1 | 180.0° | 179.7° |
| C7 | N1 | C8 | C12 | 160.4° | 145.1° |
| N1 | C7 | C6 | C5 | 143.1° | 180.0° |
| N1 | C7 | C6 | H3 | 96.5° | 60.1° |
| N1 | C7 | C6 | H4 | 22.7° | 60.0° |
| C6 | C7 | N1 | C8 | 177.9° | 175.6° |
| C7 | C6 | C5 | H3 | 120.4° | 119.9° |
| C7 | C6 | C5 | H4 | 120.4° | 120.0° |
| C7 | C6 | C5 | C4 | 101.0° | 90.0° |
| C6 | C7 | N1 | H1 | 2.1° | 4.8° |
| C7 | C6 | H3 | H4 | 118.9° | 120.0° |
| N1 | C8 | C12 | N2 | 179.8° | 180.0° |
| N1 | C8 | C9 | H11 | 0.4° | 0.0° |
| N1 | C8 | C12 | H13 | 0.3° | 0.1° |
| C8 | C12 | N2 | H13 | 180.0° | 179.9° |
| C12 | C8 | N1 | H1 | 19.6° | 35.2° |
| C12 | C8 | C9 | H11 | 178.9° | 179.7° |
| O1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | O1 | C1 | H7 | 180.0° | 59.9° |
| C2 | O1 | C1 | H8 | 60.0° | 180.0° |
| C2 | O1 | C1 | H9 | 60.0° | 60.0° |
| O1 | C2 | C3 | H10 | 0.0° | 0.0° |
| O1 | C2 | C14 | H14 | 0.1° | 0.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.2° |
| C2 | C3 | C4 | H10 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 179.2° | 180.0° |
| C3 | C2 | C14 | H14 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 179.5° | 179.8° |
| C6 | C5 | C4 | H2 | 0.5° | 0.1° |
| C5 | C6 | H3 | H4 | 118.8° | 120.0° |
| C6 | C5 | C13 | H6 | 0.5° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C4 | C5 | C6 | H3 | 138.6° | 150.1° |
| C4 | C5 | C6 | H4 | 19.4° | 30.0° |
| C4 | C5 | C13 | H6 | 178.7° | 180.0° |
| C5 | C4 | C3 | H10 | 179.2° | 179.8° |
| C12 | N2 | C11 | H12 | 178.7° | 180.0° |
| H2 | C4 | C3 | H10 | 0.8° | 0.1° |
| H5 | C10 | C9 | H11 | 0.6° | 0.0° |
| H5 | C10 | C11 | H12 | 0.6° | 0.1° |
| H6 | C13 | C14 | H14 | 0.7° | 0.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
